Geometry & MOs

Info

ID:	24632
PubChem CID:	611544
Reduced:	SH2O2F3N3C4 (1)
Stoich.:	AB2C2D3E3F4 (1)
Weight, g/mol:	212.981982
ΔH_f, kcal/mol:	-206.96
Dipole, Da:	3.0
IP(EA), eV:	-10.19(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(trifluoromethylsulfanyl)-2H-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

C1(=O)C(=NNC(=O)N1)SC(F)(F)F

DOS

IR

Vibrations