Geometry & MOs

Info

ID:	416853
PubChem CID:	135090590
Reduced:	N4C19H24 (1)
Stoich.:	A4B19C24 (1)
Weight, g/mol:	444.135508
ΔH_f, kcal/mol:	41.44
Dipole, Da:	3.42
IP(EA), eV:	-7.88(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-benzyl-4-hydroxy-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(NC2=C(C=CC=C12)CN3CCCC(C3)C4=NC=CN4)C

DOS

IR

Vibrations