Geometry & MOs

Info

ID:	445024
PubChem CID:	135264281
Reduced:	N2O3C26H30 (1)
Stoich.:	A2B3C26D30 (1)
Weight, g/mol:	423.186815
ΔH_f, kcal/mol:	-66.73
Dipole, Da:	6.52
IP(EA), eV:	-8.74(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-(4-heptoxyphenyl)-1,3-thiazol-4-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCCCCCCOC1=CC=C(C=C1)C2=NN=C(C=C2)C3=CC=C(C=C3)CCC(=O)O

DOS

IR

Vibrations