Geometry & MOs

Info

ID:	41707
PubChem CID:	8146893
Reduced:	SF2N2O2H10C17 (1)
Stoich.:	AB2C2D2E10F17 (1)
Weight, g/mol:	353.179993
ΔH_f, kcal/mol:	-63.94
Dipole, Da:	6.46
IP(EA), eV:	-9.2(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-ethyl-[[3-methyl-4-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(O2)C(=O)N=C(N3)CSC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations