Geometry & MOs

Info

ID:	128377
PubChem CID:	51042079
Reduced:	NSO3C17H19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	345.17625
ΔH_f, kcal/mol:	-76.4
Dipole, Da:	1.24
IP(EA), eV:	-9.36(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-hexoxyphenyl)-1-(1,3-thiazol-2-yl)pentan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CSC(=N1)C(=O)CCCCC2=CC=CC=C2

DOS

IR

Vibrations