Geometry & MOs

Info

ID:	66842
PubChem CID:	46505363
Reduced:	FSN4O4C23H25 (1)
Stoich.:	ABC4D4E23F25 (1)
Weight, g/mol:	498.193691
ΔH_f, kcal/mol:	-158.97
Dipole, Da:	4.41
IP(EA), eV:	-8.82(-0.87)
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-ethoxyphenyl)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)F

DOS

IR

Vibrations