Geometry & MOs

Info

ID:	77699
PubChem CID:	49658666
Reduced:	SO3N4H24C25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	460.156912
ΔH_f, kcal/mol:	-22.31
Dipole, Da:	3.35
IP(EA), eV:	-8.49(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(2-ethylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-(furan-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC=CN2C3=CC=CC(=C3)C(=O)NCC4=CC=CO4

DOS

IR

Vibrations