Geometry & MOs

Info

ID:	402862
PubChem CID:	135057590
Reduced:	NOF3H12C16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	399.092915
ΔH_f, kcal/mol:	-141.75
Dipole, Da:	6.8
IP(EA), eV:	-8.76(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(benzenesulfonyl)-2-methylbenzo[j]phenanthridin-6-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC3=C(N2)C=C(C=C3)C(F)(F)F

DOS

IR

Vibrations