Geometry & MOs

Info

ID:	417894
PubChem CID:	135103026
Reduced:	N2O2C10H13 (2)
Stoich.:	A2B2C10D13 (2)
Weight, g/mol:	317.073322
ΔH_f, kcal/mol:	-82.46
Dipole, Da:	4.16
IP(EA), eV:	-9.01(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=NO2)N3CCCC3)C(=O)N4CCOC(C4)CN

DOS

IR

Vibrations