Geometry & MOs

Info

ID:	422340
PubChem CID:	135117666
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	350.093643
ΔH_f, kcal/mol:	-53.05
Dipole, Da:	3.25
IP(EA), eV:	-8.74(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-hydroxy-1-(6-methylquinolin-8-yl)sulfonylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN(CCCNC1=NOC(=C1C(=O)O)C2=CC=CC=C2)C3CCCC3

DOS

IR

Vibrations