Geometry & MOs

Info

ID:	191216
PubChem CID:	78119784
Reduced:	O3C19H26 (2)
Stoich.:	A3B19C26 (2)
Weight, g/mol:	587.146132
ΔH_f, kcal/mol:	-294.55
Dipole, Da:	2.38
IP(EA), eV:	-9.0(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-[2-(1,3-benzothiazol-2-yl)-4-methoxyphenoxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1CCC(C(C1)OC(=O)C2C(C(C2C3=CC=C(C=C3)O)C(=O)OC4CC(CCC4C(C)C)C)C5=CC=C(C=C5)O)C(C)C

DOS

IR

Vibrations