Geometry & MOs

Info

ID:	403763
PubChem CID:	135061775
Reduced:	OC12H18 (1)
Stoich.:	AB12C18 (1)
Weight, g/mol:	311.119129
ΔH_f, kcal/mol:	-60.63
Dipole, Da:	4.08
IP(EA), eV:	-9.74(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R,4R)-1-(benzenesulfonyl)-3-methylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

C[C@@]12CCC(=O)C1=CCC(C2)(C)C

DOS

IR

Vibrations