Geometry & MOs

Info

ID:	72605
PubChem CID:	48416353
Reduced:	SO4N5C18H23 (1)
Stoich.:	AB4C5D18E23 (1)
Weight, g/mol:	364.120526
ΔH_f, kcal/mol:	-110.65
Dipole, Da:	12.96
IP(EA), eV:	-9.56(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5-methylsulfanyl-2-nitrobenzoyl)piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32)N4CCNC4=O

DOS

IR

Vibrations