Geometry & MOs

Info

ID:	283700
PubChem CID:	103999419
Reduced:	SN3O3H13C14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	288.072177
ΔH_f, kcal/mol:	-69.57
Dipole, Da:	7.75
IP(EA), eV:	-9.17(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2,2-trifluoroethylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)N)C(=O)N2CC3=C(C2)C=C(C=C3)C(=O)O

DOS

IR

Vibrations