Geometry & MOs

Info

ID:

220399

PubChem CID:

85182398

Reduced:

SN2O7C23H28 (1)

Stoich.:

AB2C7D23E28 (1)

Weight, g/mol:

476.241018

ΔHf, kcal/mol:

-234.72

Dipole, Da:

9.59

IP(EA), eV:

 -8.5(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-acetyloxy-7-[2-acetyloxy-2-(furan-3-yl)ethyl]-7,8-dimethyl-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-10-yl] acetate

Drug info:

PubChemData

Smile

CCC1C[N+]2=C(C(C1C(=COC)C(=O)OC)S(=O)(=O)[O-])C3=C(CC2)C4=C(N3)C=CC=C4OC

DOS

IR

Vibrations