Geometry & MOs

Info

ID:	146965
PubChem CID:	53776817
Reduced:	NSO2C12H24 (1)
Stoich.:	ABC2D12E24 (1)
Weight, g/mol:	247.1606
ΔH_f, kcal/mol:	-94.08
Dipole, Da:	3.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763850
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-3-(3-methylpiperidin-1-yl)butane-1-sulfinic acid

Drug info:

PubChemData

Smile

CCC(CS(=O)[O-])C(C)N1CCCC(C1)C

DOS

IR

Vibrations