Geometry & MOs

Info

ID:	63193
PubChem CID:	26746640
Reduced:	N3O5H19C21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	346.116486
ΔH_f, kcal/mol:	-99.82
Dipole, Da:	2.76
IP(EA), eV:	-9.12(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-ethyl 4-O-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (E)-but-2-enedioate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=C(O2)COC3=CC=CC=C3

DOS

IR

Vibrations