Geometry & MOs

Info

ID:	260692
PubChem CID:	103200199
Reduced:	NO4H9C13 (1)
Stoich.:	AB4C9D13 (1)
Weight, g/mol:	197.014664
ΔH_f, kcal/mol:	-68.13
Dipole, Da:	2.94
IP(EA), eV:	-9.34(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2-methyl-1,3-thiazol-5-yl)-2-oxobut-3-enoic acid

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=CC=C(O2)/C=C/C(=O)C(=O)O

DOS

IR

Vibrations