Geometry & MOs

Info

ID:	36067
PubChem CID:	7980719
Reduced:	NSO5C21H25 (1)
Stoich.:	ABC5D21E25 (1)
Weight, g/mol:	388.142307
ΔH_f, kcal/mol:	-182.62
Dipole, Da:	6.42
IP(EA), eV:	-9.4(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC[C@H](C)N([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations