Geometry & MOs

Info

ID:

18401

PubChem CID:

540376

Reduced:

O8C27H38 (1)

Stoich.:

A8B27C38 (1)

Weight, g/mol:

490.256668

ΔHf, kcal/mol:

-393.43

Dipole, Da:

4.98

IP(EA), eV:

 -10.03(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-acetyloxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC12CCC(CC1(CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O)OC(=O)C

DOS

IR

Vibrations