Geometry & MOs

Info

ID:	127439
PubChem CID:	51002351
Reduced:	ClN2O3H15C20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	539.216869
ΔH_f, kcal/mol:	-36.86
Dipole, Da:	3.43
IP(EA), eV:	-8.76(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-[2-(pyridin-2-ylmethylamino)acetyl]-3H-quinoxalin-6-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2C(=CC3=C2C(=O)C(=C(N3)O)C4=CC=CC=C4)Cl

DOS

IR

Vibrations