Geometry & MOs

Info

ID:	268017
PubChem CID:	103596069
Reduced:	SO2N3F5H12C15 (1)
Stoich.:	AB2C3D5E12F15 (1)
Weight, g/mol:	345.029202
ΔH_f, kcal/mol:	-270.77
Dipole, Da:	1.07
IP(EA), eV:	-9.34(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-3-(3-fluoro-4-methoxyphenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

Drug info:

PubChemData

Smile

CCOC(=O)CSC1=NC(=NC(=C1F)C)C2=C(C=C(C=N2)C(F)(F)F)F

DOS

IR

Vibrations