Geometry & MOs

Info

ID:

419348

PubChem CID:

135108016

Reduced:

ClN2O4C18H21 (1)

Stoich.:

AB2C4D18E21 (1)

Weight, g/mol:

651.353303

ΔHf, kcal/mol:

-104.15

Dipole, Da:

4.06

IP(EA), eV:

 -9.57(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,7R,10S,13S,15R)-3-(1H-indol-3-ylmethyl)-7-methyl-2,5,12-trioxo-10-propan-2-yl-1,4,11-triazabicyclo[11.3.0]hexadecan-15-yl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide

Drug info:

PubChemData

Smile

COCCC1CCCN(C1)C2=NOC(=C2C(=O)O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations