Geometry & MOs

Info

ID:	231323
PubChem CID:	87573476
Reduced:	INSO2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	251.098
ΔH_f, kcal/mol:	-30.54
Dipole, Da:	12.0
IP(EA), eV:	-6.84(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2H-1,3-benzothiazol-1-yl)butyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCCCS1=C2C=CC=CC2=N[CH+]1.[I-]

DOS

IR

Vibrations