Geometry & MOs

Info

ID:	422459
PubChem CID:	135117872
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	371.120272
ΔH_f, kcal/mol:	17.91
Dipole, Da:	3.47
IP(EA), eV:	-8.72(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)CNC2=C(C=CC=N2)C(=O)NC

DOS

IR

Vibrations