Geometry & MOs

Info

ID:	53445
PubChem CID:	14716035
Reduced:	NSO2C20H21 (1)
Stoich.:	ABC2D20E21 (1)
Weight, g/mol:	251.098
ΔH_f, kcal/mol:	-31.59
Dipole, Da:	6.41
IP(EA), eV:	-8.85(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,4S)-4-phenylsulfanylpiperidine-2-carboxylate

Drug info:

PubChemData

Smile

C1CN2C(CC1SC3=CC=CC=C3)C(=O)OCC2C4=CC=CC=C4

DOS

IR

Vibrations