Geometry & MOs

Info

ID:	317801
PubChem CID:	126645802
Reduced:	SN2F3O6H13C17 (1)
Stoich.:	AB2C3D6E13F17 (1)
Weight, g/mol:	366.085186
ΔH_f, kcal/mol:	-300.84
Dipole, Da:	5.95
IP(EA), eV:	-9.48(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxylic acid

Drug info:

PubChemData

Smile

C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)NO)CC3=CC=C(C=C3)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations