Geometry & MOs

Info

ID:	318254
PubChem CID:	126650109
Reduced:	SN2F4O5H22C25 (1)
Stoich.:	AB2C4D5E22F25 (1)
Weight, g/mol:	193.037508
ΔH_f, kcal/mol:	-333.42
Dipole, Da:	3.35
IP(EA), eV:	-9.26(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-3-oxo-1H-isoindole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1COC[C@H]1OC2=C(C=CC(=C2)C(F)(F)F)[C@@H]3CCOC4=C3C=CC(=C4)S(=O)(=O)NC5=NC(=CC=C5)F

DOS

IR

Vibrations