Geometry & MOs

Info

ID:

224067

PubChem CID:

85337757

Reduced:

Cl3N3O4C25H28 (1)

Stoich.:

A3B3C4D25E28 (1)

Weight, g/mol:

542.43351

ΔHf, kcal/mol:

-142.56

Dipole, Da:

7.08

IP(EA), eV:

 -8.9(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-oxohexanoic acid

Drug info:

PubChemData

Smile

CN(C(CN1CCCC1)C2=CC=CC=C2)C(=O)C(C3=CC(=C(C=C3N)Cl)Cl)C(=O)C=CC(=O)O.Cl

DOS

IR

Vibrations