Geometry & MOs

Info

ID:	64044
PubChem CID:	26759756
Reduced:	ClSN3O6C20H20 (1)
Stoich.:	ABC3D6E20F20 (1)
Weight, g/mol:	368.100836
ΔH_f, kcal/mol:	-110.66
Dipole, Da:	10.33
IP(EA), eV:	-9.23(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations