Geometry & MOs

Info

ID:	53787
PubChem CID:	14717926
Reduced:	NO3C13H13 (2)
Stoich.:	AB3C13D13 (2)
Weight, g/mol:	378.117984
ΔH_f, kcal/mol:	-120.94
Dipole, Da:	4.73
IP(EA), eV:	-8.43(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations