Geometry & MOs

Info

ID:	128378
PubChem CID:	51042080
Reduced:	NSO2C20H27 (1)
Stoich.:	ABC2D20E27 (1)
Weight, g/mol:	359.1919
ΔH_f, kcal/mol:	-57.94
Dipole, Da:	3.67
IP(EA), eV:	-8.59(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-octylphenoxy)-1-(1,3-thiazol-2-yl)butan-1-one

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=C(C=C1)CCCCC(=O)C2=NC=CS2

DOS

IR

Vibrations