Geometry & MOs

Info

ID:	176007
PubChem CID:	75981408
Reduced:	SN2O5C21H32 (1)
Stoich.:	AB2C5D21E32 (1)
Weight, g/mol:	400.088164
ΔH_f, kcal/mol:	-208.95
Dipole, Da:	3.49
IP(EA), eV:	-8.83(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzothiazol-2-yl)phenyl] 2-(4-cyanophenoxy)propanoate

Drug info:

PubChemData

Smile

CCN1CCCC(C1)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

DOS

IR

Vibrations