Geometry & MOs

Info

ID:

218737

PubChem CID:

85089889

Reduced:

BO5N6C24H39 (1)

Stoich.:

AB5C6D24E39 (1)

Weight, g/mol:

501.13148

ΔHf, kcal/mol:

-277.2

Dipole, Da:

7.56

IP(EA), eV:

 -9.26(0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-bromo-17-(fluoromethyl)-17-hydroxy-11-[4-(hydroxyiminomethyl)phenyl]-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

B(C(CCCN=C(N)N)NC(=O)CN(C1CCCCC1)C(=O)C(CC2=CC=CC=C2)NC(=O)C)(O)O

DOS

IR

Vibrations