Geometry & MOs

Info

ID:	404574
PubChem CID:	135066857
Reduced:	N2O5C22H22 (1)
Stoich.:	A2B5C22D22 (1)
Weight, g/mol:	317.027728
ΔH_f, kcal/mol:	-163.15
Dipole, Da:	2.98
IP(EA), eV:	-8.69(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-chloro-1,3-benzothiazol-2-yl)-3-methylphenyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC2=C(C=C1C3=NC4=C(C=C3)C(=O)C(CC4)(C)C)N(C(=O)CO2)C

DOS

IR

Vibrations