Geometry & MOs

Info

ID:	85747
PubChem CID:	49878690
Reduced:	FSN5O5H22C26 (1)
Stoich.:	ABC5D5E22F26 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-57.77
Dipole, Da:	10.01
IP(EA), eV:	-8.99(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-2-oxoquinoxalin-1-yl)-N-(oxolan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CN3C=C(N=C3)C4=NC(=NO4)C5=CC=C(C=C5)F)OC

DOS

IR

Vibrations