Geometry & MOs

Info

ID:	121928
PubChem CID:	50786691
Reduced:	SO3N4C16H16 (1)
Stoich.:	AB3C4D16E16 (1)
Weight, g/mol:	434.104876
ΔH_f, kcal/mol:	-28.91
Dipole, Da:	3.12
IP(EA), eV:	-8.98(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-2-(4-ethylphenyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NN3C(=C2)C(=O)NN=C3SCC(=O)OC

DOS

IR

Vibrations