Geometry & MOs

Info

ID:

164421

PubChem CID:

74398003

Reduced:

O3C15H22 (1)

Stoich.:

A3B15C22 (1)

Weight, g/mol:

1122.608683

ΔHf, kcal/mol:

-158.88

Dipole, Da:

5.27

IP(EA), eV:

 -9.96(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(2-acetamidohexanoylamino)-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-9-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-23-carboxamide

Drug info:

PubChemData

Smile

CC1C2CC3(C(C1(C(=O)C(C3=O)C2(C)C)C)O)C

DOS

IR

Vibrations