Geometry & MOs

Info

ID:

187522

PubChem CID:

77584134

Reduced:

Cl3O4N5C27H34 (1)

Stoich.:

A3B4C5D27E34 (1)

Weight, g/mol:

510.282883

ΔHf, kcal/mol:

-187.38

Dipole, Da:

3.75

IP(EA), eV:

 -9.05(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one;propanoic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCC(CC3)NCC4=CC5=C(N4CC(=O)O)N=CC=C5)O.Cl.Cl.Cl

DOS

IR

Vibrations