Geometry & MOs

Info

ID:

214710

PubChem CID:

85083449

Reduced:

ICl2O2N5H20C22 (1)

Stoich.:

AB2C2D5E20F22 (1)

Weight, g/mol:

582.04395

ΔHf, kcal/mol:

17.53

Dipole, Da:

14.68

IP(EA), eV:

 -8.73(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-(2-bromoacetyl)oxy-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]but-3-ynyl 2-bromoacetate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)I)C2C(NC(=C3C(=CC(=O)C=C3Cl)Cl)N2)C4=NC(=NC=C4)NCCCO

DOS

IR

Vibrations