Geometry & MOs

Info

ID:	37423
PubChem CID:	8020895
Reduced:	NO2C5H7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	379.98303
ΔH_f, kcal/mol:	-135.42
Dipole, Da:	5.94
IP(EA), eV:	-9.62(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate

Drug info:

PubChemData

Smile

C/C=C/C=C/C(=O)OCC(=O)NNC(=O)C

DOS

IR

Vibrations