Geometry & MOs

Info

ID:	403254
PubChem CID:	135059394
Reduced:	ON2H14C15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	433.053942
ΔH_f, kcal/mol:	3.5
Dipole, Da:	3.52
IP(EA), eV:	-8.11(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-(4-methylphenyl)sulfonylbenzo[k]phenanthridin-6-one

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)C3=CC=CC=C3NC2=O

DOS

IR

Vibrations