Geometry & MOs

Info

ID:	66863
PubChem CID:	46505397
Reduced:	SN4O5C30H38 (1)
Stoich.:	AB4C5D30E38 (1)
Weight, g/mol:	498.185625
ΔH_f, kcal/mol:	-171.16
Dipole, Da:	2.28
IP(EA), eV:	-8.61(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2-[1-(4-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCN3CCC(CC3)C)CC(=O)NC4=CC=C(C=C4)C(=O)OCC

DOS

IR

Vibrations