Geometry & MOs

Info

ID:	404564
PubChem CID:	135066843
Reduced:	ClNSO2H12C16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	341.072179
ΔH_f, kcal/mol:	-30.46
Dipole, Da:	2.84
IP(EA), eV:	-8.86(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC(=N2)C3=C(C=CC=C3Cl)OC(=O)C

DOS

IR

Vibrations