Geometry & MOs

Info

ID:	443675
PubChem CID:	135259734
Reduced:	SN6H12C15 (1)
Stoich.:	AB6C12D15 (1)
Weight, g/mol:	368.105545
ΔH_f, kcal/mol:	145.72
Dipole, Da:	1.76
IP(EA), eV:	-8.92(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-2-methyl-1H-quinoline-6-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2)CSC3=CC(=NC4=NNN=C34)N)N=C1

DOS

IR

Vibrations