Geometry & MOs

Info

ID:	264717
PubChem CID:	103485244
Reduced:	SO2N3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	327.033207
ΔH_f, kcal/mol:	-33.28
Dipole, Da:	7.69
IP(EA), eV:	-8.99(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]propanoic acid

Drug info:

PubChemData

Smile

CCC1=NN(C=C1C2=NC(=CS2)CCC(=O)O)C

DOS

IR

Vibrations