Geometry & MOs

Info

ID:	273553
PubChem CID:	103771357
Reduced:	SN2O4C14H20 (1)
Stoich.:	AB2C4D14E20 (1)
Weight, g/mol:	306.161329
ΔH_f, kcal/mol:	-91.94
Dipole, Da:	5.09
IP(EA), eV:	-9.25(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=C(C=CC(=C1)SC)[N+](=O)[O-])O

DOS

IR

Vibrations