Geometry & MOs

Info

ID:	189979
PubChem CID:	77935873
Reduced:	ClSN2O4C22H27 (1)
Stoich.:	ABC2D4E22F27 (1)
Weight, g/mol:	315.085521
ΔH_f, kcal/mol:	-156.09
Dipole, Da:	4.56
IP(EA), eV:	-9.86(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[8-(2,3-dihydrofuran-5-yl)-6-oxo-8aH-quinoxaline-5-carbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=O)C1CNC(=O)C2=C(C(=CC(=C2)Cl)S(=O)(=O)C3CCCCC3)C)C

DOS

IR

Vibrations