Geometry & MOs

Info

ID:	66840
PubChem CID:	46505358
Reduced:	ClSN4O4C22H23 (1)
Stoich.:	ABC4D4E22F23 (1)
Weight, g/mol:	484.178041
ΔH_f, kcal/mol:	-116.2
Dipole, Da:	5.92
IP(EA), eV:	-8.95(-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-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)NCCN1C(C(=O)N(C1=S)C2=CC(=CC=C2)OC)CC(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations