Geometry & MOs

Info

ID:	66841
PubChem CID:	46505360
Reduced:	SN4O5C24H28 (1)
Stoich.:	AB4C5D24E28 (1)
Weight, g/mol:	472.158055
ΔH_f, kcal/mol:	-152.56
Dipole, Da:	2.21
IP(EA), eV:	-8.41(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-acetamidoethyl)-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCNC(=O)C)CC(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations