Geometry & MOs

Info

ID:	260690
PubChem CID:	103200176
Reduced:	BrH2O2C4 (2)
Stoich.:	AB2C2D4 (2)
Weight, g/mol:	254.072513
ΔH_f, kcal/mol:	-88.81
Dipole, Da:	3.78
IP(EA), eV:	-9.78(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[2-(diethylamino)-1,3-thiazol-5-yl]-2-oxobut-3-enoic acid

Drug info:

PubChemData

Smile

C1=C(OC(=C1Br)Br)/C=C/C(=O)C(=O)O

DOS

IR

Vibrations