Geometry & MOs

Info

ID:

406580

PubChem CID:

135078101

Reduced:

ClO8C29H35 (1)

Stoich.:

AB8C29D35 (1)

Weight, g/mol:

388.224974

ΔHf, kcal/mol:

-301.76

Dipole, Da:

6.03

IP(EA), eV:

 -9.39(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1C(C(C(OC1OCCCC=C)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OC(=O)CCl

DOS

IR

Vibrations