Geometry & MOs

Info

ID:	175012
PubChem CID:	75845469
Reduced:	NSO5C27H27 (1)
Stoich.:	ABC5D27E27 (1)
Weight, g/mol:	404.148455
ΔH_f, kcal/mol:	-122.12
Dipole, Da:	2.62
IP(EA), eV:	-8.26(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-nitro-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C=CC(=O)OCCSC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)OC

DOS

IR

Vibrations