Geometry & MOs

Info

ID:	307639
PubChem CID:	125307877
Reduced:	NF2O4H13C16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	452.09277
ΔH_f, kcal/mol:	-215.27
Dipole, Da:	2.69
IP(EA), eV:	-9.75(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-[(E)-3-[(3S)-2-oxo-3H-quinolin-3-yl]prop-2-enoyl]-4-phenyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=NC(=O)[C@@H]2[C@@H](CC(=O)OC2=C1)C3=CC(=CC=C3)OC(F)F

DOS

IR

Vibrations