Geometry & MOs

Info

ID:	406744
PubChem CID:	135078516
Reduced:	O3C14H22 (1)
Stoich.:	A3B14C22 (1)
Weight, g/mol:	329.108565
ΔH_f, kcal/mol:	-159.15
Dipole, Da:	4.46
IP(EA), eV:	-10.04(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methyl-1,3-benzothiazol-5-yl)methyl]-2-(3-oxobutyl)cyclopentane-1,3-dione

Drug info:

PubChemData

Smile

CC(C)CCC1(C(=O)CCC1=O)CCC(=O)C

DOS

IR

Vibrations