Geometry & MOs

Info

ID:

214740

PubChem CID:

85083506

Reduced:

F3O6C32H51 (1)

Stoich.:

A3B6C32D51 (1)

Weight, g/mol:

588.366219

ΔHf, kcal/mol:

-453.96

Dipole, Da:

3.29

IP(EA), eV:

 -9.94(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[3,12-diacetyloxy-10-(2,2-dimethylpropanoyloxymethyl)-13-methyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)CCCCCCOCC(COC(=O)C(C1=CC=CC=C1)(C(F)(F)F)OC)OC

DOS

IR

Vibrations