Geometry & MOs

Info

ID:	146762
PubChem CID:	53745625
Reduced:	FSiO3N4C18H35 (1)
Stoich.:	ABC3D4E18F35 (1)
Weight, g/mol:	433.070597
ΔH_f, kcal/mol:	-223.84
Dipole, Da:	5.78
IP(EA), eV:	-9.01(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-formyl-3-methyl-1H-1,2,4-triazol-2-ium-3-yl]pyrimidine-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H](C[C@@H]1CC(CN=[N+]=[N-])F)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations