Geometry & MOs

Info

ID:	404586
PubChem CID:	135067038
Reduced:	N4O4H10C15 (1)
Stoich.:	A4B4C10D15 (1)
Weight, g/mol:	361.017557
ΔH_f, kcal/mol:	24.06
Dipole, Da:	9.09
IP(EA), eV:	-10.06(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=CC(=C1)[N+](=O)[O-])C2=NC3=CC=CC=C3N=N2

DOS

IR

Vibrations