Geometry & MOs

Info

ID:	422370
PubChem CID:	135117704
Reduced:	SO2N4C15H16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	366.194343
ΔH_f, kcal/mol:	0.44
Dipole, Da:	3.17
IP(EA), eV:	-8.88(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN(C)CC2=CC(=O)N3C=CC=C(C3=N2)O

DOS

IR

Vibrations