Geometry & MOs

Info

ID:	77709
PubChem CID:	49658683
Reduced:	ClSN4O4H21C24 (1)
Stoich.:	ABC4D4E21F24 (1)
Weight, g/mol:	480.102289
ΔH_f, kcal/mol:	-47.16
Dipole, Da:	1.83
IP(EA), eV:	-8.7(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations