Geometry & MOs

Info

ID:	171964
PubChem CID:	75446261
Reduced:	N2S2O3C12H14 (1)
Stoich.:	A2B2C3D12E14 (1)
Weight, g/mol:	277.09636
ΔH_f, kcal/mol:	-86.46
Dipole, Da:	6.72
IP(EA), eV:	-8.6(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-indole-7-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)O)NS(=O)(=O)C2=C(N=C(S2)C)C

DOS

IR

Vibrations