Geometry & MOs

Info

ID:

388776

PubChem CID:

134990170

Reduced:

SN3O8H23C24 (1)

Stoich.:

AB3C8D23E24 (1)

Weight, g/mol:

390.240624

ΔHf, kcal/mol:

-196.67

Dipole, Da:

5.43

IP(EA), eV:

 -9.59(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(5'S,8'S,9'S,10'S,13'S,14'S,17'S)-10',13'-dimethyl-1'-oxospiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene]-17'-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1CS[C@@H]2[C@@H](C(=O)N2C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)CC4=CC=CC=C4

DOS

IR

Vibrations