Geometry & MOs

Info

ID:	77664
PubChem CID:	49658609
Reduced:	ClSO2N4H21C25 (1)
Stoich.:	ABC2D4E21F25 (1)
Weight, g/mol:	472.156912
ΔH_f, kcal/mol:	19.54
Dipole, Da:	11.68
IP(EA), eV:	-8.63(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylimidazol-1-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)N3C=CN=C3SCC(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations