Geometry & MOs

Info

ID:	67815
PubChem CID:	46507229
Reduced:	FSN2O3H9C16 (1)
Stoich.:	ABC2D3E9F16 (1)
Weight, g/mol:	369.055005
ΔH_f, kcal/mol:	-71.5
Dipole, Da:	7.93
IP(EA), eV:	-10.03(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-2-(3-chloroquinoxalin-2-yl)sulfonyl-3-(dimethylamino)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)S(=O)(=O)C2=CNC3=C(C2=O)C=CC(=C3)F

DOS

IR

Vibrations