Geometry & MOs

Info

ID:	443671
PubChem CID:	135259730
Reduced:	SF3N8C11H11 (1)
Stoich.:	AB3C8D11E11 (1)
Weight, g/mol:	335.024374
ΔH_f, kcal/mol:	-17.42
Dipole, Da:	3.85
IP(EA), eV:	-8.99(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanyl]-2-(2-chlorophenyl)acetic acid

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)CSC2=NC(=NC3=NNN=C32)N)C(F)(F)F

DOS

IR

Vibrations