Geometry & MOs

Info

ID:	165550
PubChem CID:	74564507
Reduced:	ClSO3N4H21C26 (1)
Stoich.:	ABC3D4E21F26 (1)
Weight, g/mol:	401.137556
ΔH_f, kcal/mol:	-11.16
Dipole, Da:	8.54
IP(EA), eV:	-9.45(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-[3-(3-nitrophenyl)prop-2-enoylamino]benzamide

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(=CC3=CC=CC=C3Cl)C4=CC=CC=C4

DOS

IR

Vibrations