Geometry & MOs

Info

ID:	390045
PubChem CID:	134996794
Reduced:	OSN2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	337.062008
ΔH_f, kcal/mol:	-11.62
Dipole, Da:	1.34
IP(EA), eV:	-8.75(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (E)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)but-2-enedioate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=N/SC(=O)N(C)C)/C

DOS

IR

Vibrations