Geometry & MOs

Info

ID:	393424
PubChem CID:	135020530
Reduced:	OH9C10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	391.087829
ΔH_f, kcal/mol:	33.67
Dipole, Da:	2.79
IP(EA), eV:	-8.97(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-1-(4-methylphenyl)sulfonyl-4-phenylquinolin-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)[C@H](C#CC#CCCC2=CC=CC=C2)O

DOS

IR

Vibrations