Geometry & MOs

Info

ID:	137642
PubChem CID:	52238701
Reduced:	NSO3C19H19 (1)
Stoich.:	ABC3D19E19 (1)
Weight, g/mol:	390.113506
ΔH_f, kcal/mol:	-60.2
Dipole, Da:	3.6
IP(EA), eV:	-8.87(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-N-[(S)-(3-chlorophenyl)-phenylmethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

Drug info:

PubChemData

Smile

COCCOC1=CC=CC(=C1)CNC(=O)C2=CC3=CC=CC=C3S2

DOS

IR

Vibrations