Geometry & MOs

Info

ID:	240594
PubChem CID:	93616662
Reduced:	SN2O2C11H16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	264.129634
ΔH_f, kcal/mol:	-76.76
Dipole, Da:	5.11
IP(EA), eV:	-8.49(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-methyl-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](CNC(=O)NC1=CC=C(C=C1)SC)O

DOS

IR

Vibrations