Geometry & MOs

Info

ID:	445750
PubChem CID:	135269331
Reduced:	ClO3N4C24H31 (1)
Stoich.:	AB3C4D24E31 (1)
Weight, g/mol:	195.071785
ΔH_f, kcal/mol:	-113.22
Dipole, Da:	5.19
IP(EA), eV:	-8.89(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(5-methyl-1,3-thiazol-2-yl)hex-1-en-3-one

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=C(N=C(N2CC3=CC=C(C=C3)Cl)OCCC4CCCCC4)N(C1=O)C

DOS

IR

Vibrations