Geometry & MOs

Info

ID:

47108

PubChem CID:

10529650

Reduced:

SN2O4C29H36 (1)

Stoich.:

AB2C4D29E36 (1)

Weight, g/mol:

509.298867

ΔHf, kcal/mol:

-122.59

Dipole, Da:

5.08

IP(EA), eV:

 -9.34(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-6-(2-methylpropylcarbamoyloxy)-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)OC(=O)NS(=O)(=O)NCC(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations