Geometry & MOs

Info

ID:

232832

PubChem CID:

87577161

Reduced:

PSiN5O7C27H38 (1)

Stoich.:

ABC5D7E27F38 (1)

Weight, g/mol:

379.08272

ΔHf, kcal/mol:

-309.56

Dipole, Da:

5.5

IP(EA), eV:

 -9.08(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;silver

Drug info:

PubChemData

Smile

CCOP(=O)(/C=C/[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)O[Si](C)(C)C(C)(C)C)OC)O

DOS

IR

Vibrations