Geometry & MOs

Info

ID:	46149
PubChem CID:	10522539
Reduced:	SO2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	360.140868
ΔH_f, kcal/mol:	-78.89
Dipole, Da:	1.61
IP(EA), eV:	-9.38(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-4-[(E)-2-([1,3]thiazolo[4,5-b]quinoxalin-2-yl)ethenyl]aniline

Drug info:

PubChemData

Smile

C1C[C@@H]2C=C[C@H]1C3=C2C=C4C(C3)S(=O)(=O)C5=CC=CC=C5S4(=O)=O

DOS

IR

Vibrations