Geometry & MOs

Info

ID:	430173
PubChem CID:	135170236
Reduced:	FSN2O2C15H19 (1)
Stoich.:	ABC2D2E15F19 (1)
Weight, g/mol:	308.068473
ΔH_f, kcal/mol:	-87.58
Dipole, Da:	5.43
IP(EA), eV:	-9.29(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(3-methoxyphenyl)methylidene]-1,3-dioxoindene-5-carboxylic acid

Drug info:

PubChemData

Smile

C=CCC1[C@H]2CNC[C@H]2CN1S(=O)(=O)C3=CC=CC=C3F

DOS

IR

Vibrations