Geometry & MOs

Info

ID:

388888

PubChem CID:

134990527

Reduced:

O4C21H30 (1)

Stoich.:

A4B21C30 (1)

Weight, g/mol:

436.226117

ΔHf, kcal/mol:

-203.83

Dipole, Da:

7.54

IP(EA), eV:

 -9.16(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2Z)-2-[(5'R,6'R,8'S,9'S,10'R,13'S,14'S)-6'-fluoro-5'-hydroxy-10',13'-dimethyl-11'-oxospiro[1,3-dioxolane-2,3'-2,4,6,7,8,9,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-ylidene]acetate

Drug info:

PubChemData

Smile

C[C@@]1(CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)/C(=C/O)/C[C@]34C)O)C)O

DOS

IR

Vibrations