Geometry & MOs

Info

ID:	77704
PubChem CID:	49658673
Reduced:	SN4O5H24C25 (1)
Stoich.:	AB4C5D24E25 (1)
Weight, g/mol:	474.136176
ΔH_f, kcal/mol:	-77.89
Dipole, Da:	9.07
IP(EA), eV:	-7.83(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)CSC2=NC=CN2C3=CC=CC(=C3)C(=O)NCC4=CC=CO4)OC

DOS

IR

Vibrations