Geometry & MOs

Info

ID:	206214
PubChem CID:	80220221
Reduced:	FN2O4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	307.024932
ΔH_f, kcal/mol:	-170.95
Dipole, Da:	6.56
IP(EA), eV:	-9.16(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-fluoro-5-methoxyphenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)F)NC(=O)NC2(CC2)C(=O)O

DOS

IR

Vibrations