Geometry & MOs

Info

ID:	19385
PubChem CID:	562868
Reduced:	S2O9C27H28 (1)
Stoich.:	A2B9C27D28 (1)
Weight, g/mol:	560.117475
ΔH_f, kcal/mol:	-302.49
Dipole, Da:	10.16
IP(EA), eV:	-9.29(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-(4-methylphenyl)sulfonyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2COC3COC(OC3C2OS(=O)(=O)C4=CC=C(C=C4)C)C5=CC=CC=C5

DOS

IR

Vibrations