Geometry & MOs

Info

ID:	307144
PubChem CID:	125275225
Reduced:	N3O4H17C18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	339.121906
ΔH_f, kcal/mol:	-109.47
Dipole, Da:	3.41
IP(EA), eV:	-9.77(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=O)[C@@H](C(=O)N1)[C@H](CC(=O)OC)C2=CC3=NC=CN=C3C=C2

DOS

IR

Vibrations