Geometry & MOs

Info

ID:

296792

PubChem CID:

117593339

Reduced:

ClN4O8C41H43 (1)

Stoich.:

AB4C8D41E43 (1)

Weight, g/mol:

460.063973

ΔHf, kcal/mol:

-226.74

Dipole, Da:

4.16

IP(EA), eV:

 -8.67(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

trisodium;3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one;phosphonatoformate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCC3CCCN3C.COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations