Geometry & MOs

Info

ID:	415234
PubChem CID:	135088226
Reduced:	FN3O5C20H26 (1)
Stoich.:	AB3C5D20E26 (1)
Weight, g/mol:	313.098394
ΔH_f, kcal/mol:	-178.87
Dipole, Da:	5.88
IP(EA), eV:	-9.15(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(2,5-dimethylphenyl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN(CC1CCCN(C1)CCO)C2=NOC(=C2C(=O)O)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations