Geometry & MOs

Info

ID:	66992
PubChem CID:	46505657
Reduced:	SO3N4C27H34 (1)
Stoich.:	AB3C4D27E34 (1)
Weight, g/mol:	544.191104
ΔH_f, kcal/mol:	-78.04
Dipole, Da:	4.13
IP(EA), eV:	-8.31(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCCN3CCCCC3)CC(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations