Geometry & MOs

Info

ID:	219110
PubChem CID:	85090556
Reduced:	N3O8C29H41 (1)
Stoich.:	A3B8C29D41 (1)
Weight, g/mol:	560.081089
ΔH_f, kcal/mol:	-233.53
Dipole, Da:	3.06
IP(EA), eV:	-8.47(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6,8-bis-(4-methylphenyl)sulfonyloxy-1,2,3a,8b-tetrahydrofuro[2,3-b][1]benzofuran-2-yl] acetate

Drug info:

PubChemData

Smile

CC(NC1CCC2=CC(=C(C(=C2C3=CC=CC(C=C13)OC)OC)OC)OC)ONC(=O)OCCN4CCOCC4

DOS

IR

Vibrations