Geometry & MOs

Info

ID:	415933
PubChem CID:	135088935
Reduced:	NOSC8H12 (2)
Stoich.:	ABCD8E12 (2)
Weight, g/mol:	279.110673
ΔH_f, kcal/mol:	-72.86
Dipole, Da:	4.99
IP(EA), eV:	-8.54(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CSCC[C@@H](C(=O)N1CCC2(CC1)C3=C(CCO2)C=CS3)N

DOS

IR

Vibrations