Geometry & MOs

Info

ID:	77669
PubChem CID:	49658619
Reduced:	ClSO2N4H23C26 (1)
Stoich.:	ABC2D4E23F26 (1)
Weight, g/mol:	484.193297
ΔH_f, kcal/mol:	9.89
Dipole, Da:	5.32
IP(EA), eV:	-8.94(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-[2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylimidazol-1-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC=CN2C3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations