Geometry & MOs

Info

ID:	53779
PubChem CID:	14717912
Reduced:	Cl2N2O3H16C22 (1)
Stoich.:	A2B2C3D16E22 (1)
Weight, g/mol:	426.053798
ΔH_f, kcal/mol:	-24.93
Dipole, Da:	3.86
IP(EA), eV:	-9.46(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S,3R)-2,3-bis(4-chlorophenyl)-2,3-dihydroquinoxalin-6-yl]-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2C(N=C3C=C(C=CC3=N2)C(C(=O)O)O)C4=CC=C(C=C4)Cl)Cl

DOS

IR

Vibrations