Geometry & MOs

Info

ID:	426722
PubChem CID:	135153537
Reduced:	OS2F3N3H8C11 (1)
Stoich.:	AB2C3D3E8F11 (1)
Weight, g/mol:	285.018367
ΔH_f, kcal/mol:	-100.86
Dipole, Da:	2.83
IP(EA), eV:	-8.75(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(trifluoromethyl)phenyl]-4H-pyrrolo[3,4-d]thiadiazol-6-one

Drug info:

PubChemData

Smile

CSC1=CC(=C(C=C1)NC(=O)C2=C(N=NS2)C(F)F)F

DOS

IR

Vibrations