Geometry & MOs

Info

ID:

3980

PubChem CID:

10526

Reduced:

O5C24H30 (1)

Stoich.:

A5B24C30 (1)

Weight, g/mol:

398.209324

ΔHf, kcal/mol:

-203.44

Dipole, Da:

6.98

IP(EA), eV:

 -9.34(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,10S,13R,14S,17R)-3,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

Drug info:

PubChemData

Smile

C[C@]12CCC3C([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CCC5=C[C@H](CC[C@]35C=O)O

DOS

IR

Vibrations