Geometry & MOs

Info

ID:

327665

PubChem CID:

126690683

Reduced:

O5N6H30C38 (1)

Stoich.:

A5B6C30D38 (1)

Weight, g/mol:

711.25562

ΔHf, kcal/mol:

61.49

Dipole, Da:

2.54

IP(EA), eV:

 -9.2(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]carbamoyl]phenyl]methyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NO3)C4=CC=C(C=C4)CN(CC(=O)N=O)C(=O)C5=CC=C(C=C5)NC(=O)CC6=CN=CC=C6

DOS

IR

Vibrations