Geometry & MOs

Info

ID:	132621
PubChem CID:	51387816
Reduced:	OSF3H4N4C8 (1)
Stoich.:	ABC3D4E4F8 (1)
Weight, g/mol:	275.021441
ΔH_f, kcal/mol:	-38.18
Dipole, Da:	3.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.806717
Charge, e:	-1

Chem-info

IUPAC name:

3-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboximidate

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(=NC2=NNC(=N2)C(F)(F)F)[O-]

DOS

IR

Vibrations