Geometry & MOs

Info

ID:	191217
PubChem CID:	78119785
Reduced:	NSO11C28H29 (1)
Stoich.:	ABC11D28E29 (1)
Weight, g/mol:	621.10716
ΔH_f, kcal/mol:	-409.1
Dipole, Da:	1.34
IP(EA), eV:	-8.56(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OC2=C(C=C(C=C2)OC)C3=NC4=CC=CC=C4S3)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations