Geometry & MOs

Info

ID:	406915
PubChem CID:	135078918
Reduced:	SO2C14H27 (2)
Stoich.:	AB2C14D27 (2)
Weight, g/mol:	253.134088
ΔH_f, kcal/mol:	-300.86
Dipole, Da:	4.24
IP(EA), eV:	-8.58(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1Z)-5,5-dimethyl-1-(naphthalen-2-ylmethylidene)pyrazolidin-1-ium-3-one

Drug info:

PubChemData

Smile

CCCCCC(CCCCC)(COC(=O)C)SSC(CCCCC)(CCCCC)COC(=O)C

DOS

IR

Vibrations