Geometry & MOs

Info

ID:	53781
PubChem CID:	14717915
Reduced:	N2O7C26H26 (1)
Stoich.:	A2B7C26D26 (1)
Weight, g/mol:	394.112899
ΔH_f, kcal/mol:	-156.09
Dipole, Da:	5.89
IP(EA), eV:	-8.34(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,3-bis(4-fluorophenyl)-2,3-dihydroquinoxalin-6-yl]-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@H]2[C@H](N=C3C=C(C=CC3=N2)C(C(=O)O)O)C4=CC(=C(C=C4)OC)OC)OC

DOS

IR

Vibrations