Geometry & MOs

Info

ID:

144291

PubChem CID:

53345444

Reduced:

SN2O3H22C24 (1)

Stoich.:

AB2C3D22E24 (1)

Weight, g/mol:

448.209718

ΔHf, kcal/mol:

-41.72

Dipole, Da:

7.09

IP(EA), eV:

 -9.1(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(7R,8R,9aS)-6,6,9a-trimethyl-7-[(Z)-2-methylbut-2-enoyl]oxy-3-oxo-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-8-yl]oxy]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1C2=CC3=C(C=C2)N=C(N3)CCC4=CC=C(C=C4)S(=O)(=O)C

DOS

IR

Vibrations