Geometry & MOs

Info

ID:	77670
PubChem CID:	49658621
Reduced:	SO2N4C28H28 (1)
Stoich.:	AB2C4D28E28 (1)
Weight, g/mol:	490.123025
ΔH_f, kcal/mol:	11.77
Dipole, Da:	4.71
IP(EA), eV:	-8.63(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-[2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations