Geometry & MOs

Info

ID:	188801
PubChem CID:	77769769
Reduced:	N5O7C28H31 (1)
Stoich.:	A5B7C28D31 (1)
Weight, g/mol:	523.23185
ΔH_f, kcal/mol:	-240.75
Dipole, Da:	7.02
IP(EA), eV:	-8.87(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(6-carboxyhexyl)-3-nitro-5-(3-oxo-2H-quinoxalin-2-yl)phenyl]heptanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC2=C(C=C1)OC(C(=O)N2)CC(=O)NC3=NC=CN3)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations