Geometry & MOs

Info

ID:	355384
PubChem CID:	127288447
Reduced:	OSN8C13H20 (1)
Stoich.:	ABC8D13E20 (1)
Weight, g/mol:	324.082702
ΔH_f, kcal/mol:	72.4
Dipole, Da:	7.45
IP(EA), eV:	-9.54(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)CCSC3=NN=NN3C

DOS

IR

Vibrations