Geometry & MOs

Info

ID:	77675
PubChem CID:	49658626
Reduced:	SO2N4C25H28 (1)
Stoich.:	AB2C4D25E28 (1)
Weight, g/mol:	482.063796
ΔH_f, kcal/mol:	-22.44
Dipole, Da:	2.47
IP(EA), eV:	-8.95(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(3-chloroanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-(thiophen-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CSC2=NC=CN2C3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations