Geometry & MOs

Info

ID:	443674
PubChem CID:	135259733
Reduced:	FSO2N5H10C13 (1)
Stoich.:	ABC2D5E10F13 (1)
Weight, g/mol:	308.084416
ΔH_f, kcal/mol:	-9.04
Dipole, Da:	3.21
IP(EA), eV:	-9.08(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(quinolin-6-ylmethylsulfanyl)-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)O)CSC2=CC(=NC3=NNN=C23)N)F

DOS

IR

Vibrations