Geometry & MOs

Info

ID:	222202
PubChem CID:	85295182
Reduced:	ClO2C11H17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	217.059506
ΔH_f, kcal/mol:	-100.37
Dipole, Da:	1.98
IP(EA), eV:	-9.86(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1,2-bis(methylsulfanyl)ethylidene]-1-methylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(=CCCl)CCC=C(C)C(=O)OC

DOS

IR

Vibrations