Geometry & MOs

Info

ID:	31230
PubChem CID:	855280
Reduced:	FSN2O3H9C12 (1)
Stoich.:	ABC2D3E9F12 (1)
Weight, g/mol:	342.115047
ΔH_f, kcal/mol:	-123.93
Dipole, Da:	9.08
IP(EA), eV:	-9.45(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2,3-dimethylphenyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)C2=CC(=CC=C2)F)C(=O)O

DOS

IR

Vibrations