Geometry & MOs

Info

ID:	164336
PubChem CID:	74383022
Reduced:	O4N9C36H55 (1)
Stoich.:	A4B9C36D55 (1)
Weight, g/mol:	1190.800232
ΔH_f, kcal/mol:	-153.82
Dipole, Da:	2.84
IP(EA), eV:	-9.02(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-(aminomethyl)-33-(1-hydroxy-2-methylhex-4-enyl)-24-(2-hydroxy-2-methylpropyl)-1,4,7,10,15,19,25,28-octamethyl-6,18-bis(2-methylpropyl)-3,21-di(propan-2-yl)-30-propyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)CC(C(=O)NC(CCCNC)C(=O)N1CCCN(CC1)C(=N)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)N

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)CC(C(=O)NC(CCCNC)C(=O)N1CCCN(CC1)C(=N)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):