Geometry & MOs

Info

ID:	230099
PubChem CID:	87570167
Reduced:	SiS2O4C47H80 (1)
Stoich.:	AB2C4D47E80 (1)
Weight, g/mol:	419.037446
ΔH_f, kcal/mol:	-305.32
Dipole, Da:	3.32
IP(EA), eV:	-8.28(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-methyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]-1-oxidopyridin-1-ium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC1=C(C=C(C=C1)C2(SCCCS2)C(C3=CC=C(C=C3)O[Si](C)(C)C(C)(C)C)O)OCCCCCCCCCCCC

DOS

IR

Vibrations