Geometry & MOs

Info

ID:	37748
PubChem CID:	8024054
Reduced:	N2O2Cl3C18H20 (1)
Stoich.:	A2B2C3D18E20 (1)
Weight, g/mol:	417.185255
ΔH_f, kcal/mol:	-46.77
Dipole, Da:	7.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.828102
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=C(C=C(C=C2Cl)Cl)Cl

DOS

IR

Vibrations