Geometry & MOs

Info

ID:	419326
PubChem CID:	135107982
Reduced:	O3N5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	692.346838
ΔH_f, kcal/mol:	-75.81
Dipole, Da:	4.18
IP(EA), eV:	-8.67(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,13S,19S)-4-benzyl-7-methyl-19-(2-methylpropyl)-15-(oxane-4-carbonyl)-13-propan-2-yl-21-thia-3,6,8,9,12,15,18,23-octazatricyclo[18.2.1.05,9]tricosa-1(22),5,7,20(23)-tetraene-2,11,17-trione

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

CC1=NN(C(=C1)N)CC(=O)N2CC[C@H]([C@@H](C2)O)NC(=O)C3=CC=CC=C3

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

CC1=NN(C(=C1)N)CC(=O)N2CC[C@H]([C@@H](C2)O)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):