Geometry & MOs

Info

ID:	77700
PubChem CID:	49658668
Reduced:	SO3N4H24C25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	462.136176
ΔH_f, kcal/mol:	-13.86
Dipole, Da:	2.54
IP(EA), eV:	-8.75(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CSC2=NC=CN2C3=CC=CC(=C3)C(=O)NCC4=CC=CO4

DOS

IR

Vibrations