Geometry & MOs

Info

ID:	372492
PubChem CID:	131298601
Reduced:	BrOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	231.0354
ΔH_f, kcal/mol:	-71.23
Dipole, Da:	4.22
IP(EA), eV:	-9.38(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-phenyl-1,3-thiazol-2-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)CBr)C(=O)C(C)Br

DOS

IR

Vibrations