Geometry & MOs

Info

ID:	37607
PubChem CID:	8022588
Reduced:	SN2O6C17H21 (1)
Stoich.:	AB2C6D17E21 (1)
Weight, g/mol:	310.074919
ΔH_f, kcal/mol:	-182.22
Dipole, Da:	1.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.777869
Charge, e:	-1

Chem-info

IUPAC name:

(3R)-1-(4-acetylphenyl)sulfonylpiperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NCCC(=O)[O-]

DOS

IR

Vibrations