Geometry & MOs

Info

ID:	398623
PubChem CID:	135034351
Reduced:	OC13H28 (1)
Stoich.:	AB13C28 (1)
Weight, g/mol:	297.028206
ΔH_f, kcal/mol:	-108.0
Dipole, Da:	1.43
IP(EA), eV:	-9.53(2.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-2-ylsulfanyl)-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

CCCCCCC(C)OC(CC)CC

DOS

IR

Vibrations