Geometry & MOs

Info

ID:	192305
PubChem CID:	78254513
Reduced:	FSN3O3C26H30 (1)
Stoich.:	ABC3D3E26F30 (1)
Weight, g/mol:	420.077993
ΔH_f, kcal/mol:	-106.21
Dipole, Da:	3.67
IP(EA), eV:	-9.44(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)sulfonyl-6-nitro-4-phenyl-4aH-quinolin-2-one

Drug info:

PubChemData

Smile

CC(C)CC1=NN=C(S1)N2C(C3=C(C2=O)OC4CCC(CC4C3=O)F)C5=CC=C(C=C5)C(C)C

DOS

IR

Vibrations