Geometry & MOs

Info

ID:	417002
PubChem CID:	135091078
Reduced:	NSO5C13H25 (1)
Stoich.:	ABC5D13E25 (1)
Weight, g/mol:	390.161329
ΔH_f, kcal/mol:	-247.89
Dipole, Da:	7.03
IP(EA), eV:	-8.87(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-[(7-methylsulfanyl-2-oxo-1H-quinolin-3-yl)methyl]-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)CCS(=O)(=O)C)O

DOS

IR

Vibrations