Geometry & MOs

Info

ID:

944

PubChem CID:

3560

Reduced:

BrF2O7C25H29 (1)

Stoich.:

AB2C7D25E29 (1)

Weight, g/mol:

558.10647

ΔHf, kcal/mol:

-392.08

Dipole, Da:

4.77

IP(EA), eV:

 -10.1(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(17-acetyloxy-2-bromo-6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCC(=O)C1(CCC2C1(CC(C3(C2CC(C4=CC(=O)C(=CC43C)Br)F)F)O)C)OC(=O)C

DOS

IR

Vibrations