Geometry & MOs

Info

ID:	146964
PubChem CID:	53776816
Reduced:	NO2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	246.152775
ΔH_f, kcal/mol:	-137.18
Dipole, Da:	6.87
IP(EA), eV:	-9.62(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-ethyl-3-(3-methylpiperidin-1-yl)butane-1-sulfinate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1C(=O)NC(=O)[C@H](C(CC2=CC=CC=C2)C(=O)O)N

DOS

IR

Vibrations