Geometry & MOs

Info

ID:	399189
PubChem CID:	135038583
Reduced:	OS2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	280.189926
ΔH_f, kcal/mol:	-8.2
Dipole, Da:	5.16
IP(EA), eV:	-8.33(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (6S)-6-(2-methylpropyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1SCCCS1=O)C2=CC=CC=C2

DOS

IR

Vibrations