Geometry & MOs

Info

ID:	128374
PubChem CID:	51042076
Reduced:	NOSC23H33 (1)
Stoich.:	ABCD23E33 (1)
Weight, g/mol:	317.14495
ΔH_f, kcal/mol:	8.53
Dipole, Da:	1.84
IP(EA), eV:	-9.27(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hexoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)C1=NC=CS1

DOS

IR

Vibrations