Geometry & MOs

Info

ID:	219264
PubChem CID:	85098313
Reduced:	O3N8C38H48 (1)
Stoich.:	A3B8C38D48 (1)
Weight, g/mol:	666.19143
ΔH_f, kcal/mol:	-74.98
Dipole, Da:	2.81
IP(EA), eV:	-8.6(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-[[1-[2-[(4-hydroxyphenyl)methyl]-2-(2-iodoacetyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

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

C1CCC2=C(C1)C=CC(=C2)CC(C(=O)N3CCC(CC3)N4CCNCC4)NC(=O)N5CCC(CC5)N6C7=C(C8=CC=CC=C8N=C7)NC6=O

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

C1CCC2=C(C1)C=CC(=C2)CC(C(=O)N3CCC(CC3)N4CCNCC4)NC(=O)N5CCC(CC5)N6C7=C(C8=CC=CC=C8N=C7)NC6=O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):