Geometry & MOs

Info

ID:	41703
PubChem CID:	8146889
Reduced:	SF2O2N3H9C14 (1)
Stoich.:	AB2C2D3E9F14 (1)
Weight, g/mol:	339.164343
ΔH_f, kcal/mol:	-23.61
Dipole, Da:	5.75
IP(EA), eV:	-9.56(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-ethyl-[[4-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)CSC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations