Geometry & MOs

Info

ID:	122000
PubChem CID:	50789255
Reduced:	SN4O4H24C25 (1)
Stoich.:	AB4C4D24E25 (1)
Weight, g/mol:	456.161997
ΔH_f, kcal/mol:	-53.81
Dipole, Da:	3.97
IP(EA), eV:	-8.22(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]-N-phenylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CNC(=O)C2=CC(=CC=C2)N3C=CN=C3SCC(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations