Geometry & MOs

Info

ID:	66883
PubChem CID:	46505451
Reduced:	SN4O5C21H24 (1)
Stoich.:	AB4C5D21E24 (1)
Weight, g/mol:	448.097204
ΔH_f, kcal/mol:	-146.5
Dipole, Da:	3.99
IP(EA), eV:	-8.39(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-acetamidoethyl)-1-(furan-2-ylmethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)NCCN1C(C(=O)N(C1=S)CC2=CC=CO2)CC(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations