Geometry & MOs

Info

ID:	121517
PubChem CID:	50771862
Reduced:	SO2N5H19C21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	419.141596
ΔH_f, kcal/mol:	40.28
Dipole, Da:	3.87
IP(EA), eV:	-8.85(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-ethylphenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]-N-(2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NN3C(=C2)C(=O)NN=C3SCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations