Geometry & MOs

Info

ID:	356518
PubChem CID:	127291665
Reduced:	SO2N6C16H18 (1)
Stoich.:	AB2C6D16E18 (1)
Weight, g/mol:	380.196074
ΔH_f, kcal/mol:	33.76
Dipole, Da:	7.84
IP(EA), eV:	-9.64(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2CCN(C3)CC4=NS(=O)(=O)C5=CC=CC=C5N4

DOS

IR

Vibrations