Geometry & MOs

Info

ID:	378686
PubChem CID:	134224780
Reduced:	NOC14H23 (1)
Stoich.:	ABC14D23 (1)
Weight, g/mol:	221.087435
ΔH_f, kcal/mol:	-83.69
Dipole, Da:	4.44
IP(EA), eV:	-9.2(1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-pentan-2-yl-3H-1,3-benzothiazol-2-one

Drug info:

PubChemData

Smile

CCC1CC2CN(C(=O)C2C1)C3CCCC3

DOS

IR

Vibrations