Geometry & MOs

Info

ID:	419793
PubChem CID:	135109066
Reduced:	ON6C17H20 (1)
Stoich.:	AB6C17D20 (1)
Weight, g/mol:	367.145344
ΔH_f, kcal/mol:	51.7
Dipole, Da:	2.53
IP(EA), eV:	-8.85(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-(cyclopropylmethyl)-1-(4-ethylphenyl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C1=CN2C=CC=NC2=N1)NC3=NC=C(C=C3)C(=O)N(C)C

DOS

IR

Vibrations