Geometry & MOs

Info

ID:	53777
PubChem CID:	14717910
Reduced:	N2O5H22C24 (1)
Stoich.:	A2B5C22D24 (1)
Weight, g/mol:	418.152872
ΔH_f, kcal/mol:	-86.33
Dipole, Da:	6.75
IP(EA), eV:	-8.8(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C(N=C3C=C(C=CC3=N2)C(C(=O)O)O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations