Geometry & MOs

Info

ID:	419570
PubChem CID:	135108427
Reduced:	ClNSO4C18H26 (1)
Stoich.:	ABCD4E18F26 (1)
Weight, g/mol:	353.129694
ΔH_f, kcal/mol:	-179.85
Dipole, Da:	4.68
IP(EA), eV:	-9.22(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-(cyclopropylmethyl)-4-hydroxy-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)OCC)O

DOS

IR

Vibrations