Geometry & MOs

Info

ID:	360266
PubChem CID:	127300909
Reduced:	SO2N5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	360.159769
ΔH_f, kcal/mol:	-25.1
Dipole, Da:	4.96
IP(EA), eV:	-8.82(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-fluoro-4H-1,3-benzodioxin-8-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)CCN3C(=O)CSC4=CC=CC=C43

DOS

IR

Vibrations