Geometry & MOs

Info

ID:	403253
PubChem CID:	135059391
Reduced:	NSF3O4H14C22 (1)
Stoich.:	ABC3D4E14F22 (1)
Weight, g/mol:	238.110613
ΔH_f, kcal/mol:	-240.31
Dipole, Da:	8.92
IP(EA), eV:	-9.46(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(dimethylamino)-5H-phenanthridin-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)C(=O)C(F)(F)F)C4=CC=CC=C4C2=O

DOS

IR

Vibrations