Geometry & MOs

Info

ID:

46305

PubChem CID:

10523808

Reduced:

NOC5H5 (4)

Stoich.:

ABC5D5 (4)

Weight, g/mol:

380.183503

ΔHf, kcal/mol:

-86.41

Dipole, Da:

5.8

IP(EA), eV:

 -8.48(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4S,4aR,5R,6S,8aS,9R,9aR)-6,9,9a-trihydroxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate

Drug info:

PubChemData

Smile

CC1C2=CC3=C(C=C2C(=NN1C(=O)NC)C4=CC=C(C=C4)NC(=O)C)OCO3

DOS

IR

Vibrations