Geometry & MOs

Info

ID:	404639
PubChem CID:	135068258
Reduced:	NO2C15H25 (1)
Stoich.:	AB2C15D25 (1)
Weight, g/mol:	341.072179
ΔH_f, kcal/mol:	-111.24
Dipole, Da:	2.37
IP(EA), eV:	-8.16(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-acetyloxy-2-(1,3-benzothiazol-2-yl)-4-methylphenyl] acetate

Drug info:

PubChemData

Smile

CCCC1=CC=C(N1C(C)CCC(=O)OCC)C

DOS

IR

Vibrations