Geometry & MOs

Info

ID:	136815
PubChem CID:	52105735
Reduced:	SN2F3O4H10C19 (1)
Stoich.:	AB2C3D4E10F19 (1)
Weight, g/mol:	394.098728
ΔH_f, kcal/mol:	-206.01
Dipole, Da:	6.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.159437
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1,3-dioxo-N-(2-phenylethyl)benzo[de]isoquinoline-5-sulfonamide

Drug info:

PubChemData

Smile

C1=CC2=CC(=CC3=C2C(=C1)C(=O)NC3=O)S(=O)(=O)[N-]C4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations