Geometry & MOs

Info

ID:

214572

PubChem CID:

85083213

Reduced:

IN3O7C20H30 (1)

Stoich.:

AB3C7D20E30 (1)

Weight, g/mol:

551.209499

ΔHf, kcal/mol:

-242.41

Dipole, Da:

8.51

IP(EA), eV:

 -9.33(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[4-[17-hydroxy-13-methyl-3-oxo-17-(1,1,2,2,2-pentafluoroethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]methylideneamino] acetate

Drug info:

PubChemData

Smile

COC1C(OC(C(C1OCC2=CC=CC=C2)I)OCC(=O)O)COCCCN=C(N)N

DOS

IR

Vibrations