Geometry & MOs

Info

ID:	393555
PubChem CID:	135021031
Reduced:	SN2O4H22C24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	407.126991
ΔH_f, kcal/mol:	-95.91
Dipole, Da:	8.83
IP(EA), eV:	-9.79(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-(6-nitro-4-phenylquinolin-2-yl)-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](C[C@@H](C2=O)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations