Geometry & MOs

Info

ID:

47293

PubChem CID:

10531276

Reduced:

N2O9C30H46 (1)

Stoich.:

A2B9C30D46 (1)

Weight, g/mol:

577.9126

ΔHf, kcal/mol:

-461.69

Dipole, Da:

3.79

IP(EA), eV:

 -9.75(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(7S,8R,9S,13S,14S,17S)-2,4,7-tribromo-3-hydroxy-1,13-dimethyl-6-oxo-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)CC[C@H](C(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations