Geometry & MOs

Info

ID:	130596
PubChem CID:	51091496
Reduced:	SN2O4C16H24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-159.13
Dipole, Da:	3.96
IP(EA), eV:	-8.98(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]hexa-2,4-dienamide

Drug info:

PubChemData

Smile

COCCN(C1CCCC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C

DOS

IR

Vibrations