Geometry & MOs

Info

ID:	66887
PubChem CID:	46505459
Reduced:	SN4O6C27H32 (1)
Stoich.:	AB4C6D27E32 (1)
Weight, g/mol:	532.154719
ΔH_f, kcal/mol:	-209.41
Dipole, Da:	4.2
IP(EA), eV:	-8.6(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-acetamidoethyl)-1-(3-chloro-4-methoxyphenyl)-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=C(C=C3)C(=O)OCC

DOS

IR

Vibrations