Geometry & MOs

Info

ID:	233975
PubChem CID:	92297457
Reduced:	NS2C10H19 (1)
Stoich.:	AB2C10D19 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-22.95
Dipole, Da:	5.84
IP(EA), eV:	-8.6(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-hydroxy-1-methylpiperidin-4-yl)-2-phenylacetic acid

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CC(C1)(C)C)NC(=S)S

DOS

IR

Vibrations