Geometry & MOs

Info

ID:	130545
PubChem CID:	51091171
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	333.122575
ΔH_f, kcal/mol:	-74.76
Dipole, Da:	7.16
IP(EA), eV:	-8.75(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-cyanophenyl)-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)C(=O)N(CC=C)C3CCS(=O)(=O)C3

DOS

IR

Vibrations