Geometry & MOs

Info

ID:	404563
PubChem CID:	135066841
Reduced:	NO4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	317.027728
ΔH_f, kcal/mol:	-132.43
Dipole, Da:	2.87
IP(EA), eV:	-8.8(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)OC)C2=NC3=C(C=C2)C(=O)CC(C3)(C)C

DOS

IR

Vibrations