Geometry & MOs

Info

ID:

327658

PubChem CID:

126690658

Reduced:

N4O4H34C39 (1)

Stoich.:

A4B4C34D39 (1)

Weight, g/mol:

649.23997

ΔHf, kcal/mol:

1.77

Dipole, Da:

6.49

IP(EA), eV:

 -9.1(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2,2-dihydroxyethyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]methyl]-N-(1-phenylethyl)benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations