Geometry & MOs

Info

ID:	307143
PubChem CID:	125275091
Reduced:	OSN4H16C17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	339.121906
ΔH_f, kcal/mol:	107.13
Dipole, Da:	2.41
IP(EA), eV:	-9.21(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-3-[(3S)-6-methyl-2,4-dioxo-1H-pyridin-3-yl]-3-quinoxalin-6-ylpropanoate

Drug info:

PubChemData

Smile

C1CC=C[C@@H](C1)[C@H]2C(=C(O[C@H]3C2=C(N=N3)C4=CC=CS4)N)C#N

DOS

IR

Vibrations