Geometry & MOs

Info

ID:	77702
PubChem CID:	49658671
Reduced:	SN4O5H24C25 (1)
Stoich.:	AB4C5D24E25 (1)
Weight, g/mol:	492.146741
ΔH_f, kcal/mol:	-83.4
Dipole, Da:	3.62
IP(EA), eV:	-8.3(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-(furan-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations