Geometry & MOs

Info

ID:	66318
PubChem CID:	46504243
Reduced:	OS2N3C22H31 (1)
Stoich.:	AB2C3D22E31 (1)
Weight, g/mol:	651.228218
ΔH_f, kcal/mol:	10.05
Dipole, Da:	4.43
IP(EA), eV:	-8.33(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-chloro-4-methoxyphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)NC(=S)N(CCCN2CCCCCC2)CC3=CC=CO3

DOS

IR

Vibrations