Geometry & MOs

Info

ID:

47436

PubChem CID:

10532661

Reduced:

N2O2H21C22 (2)

Stoich.:

A2B2C21D22 (2)

Weight, g/mol:

690.222068

ΔHf, kcal/mol:

-26.92

Dipole, Da:

6.02

IP(EA), eV:

 -8.07(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2-amino-2-oxoethyl)-N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)N(C1=CC=C(C=C1)OC)C(=O)CN2C3=CC=CC=C3N(C(=O)C(C2=O)(C)CC4=CN(C5=CC=CC=C54)CC6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations