Geometry & MOs

Info

ID:	66846
PubChem CID:	46505370
Reduced:	FSO3N4C22H23 (1)
Stoich.:	ABC3D4E22F23 (1)
Weight, g/mol:	468.183127
ΔH_f, kcal/mol:	-122.57
Dipole, Da:	0.96
IP(EA), eV:	-9.14(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCNC(=O)C)CC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations