Geometry & MOs

Info

ID:	66889
PubChem CID:	46505461
Reduced:	SN4O5C25H30 (1)
Stoich.:	AB4C5D25E30 (1)
Weight, g/mol:	502.144154
ΔH_f, kcal/mol:	-157.22
Dipole, Da:	2.66
IP(EA), eV:	-8.46(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCNC(=O)C)C3=CC(=CC=C3)OC

DOS

IR

Vibrations