Geometry & MOs

Info

ID:

49770

PubChem CID:

11533784

Reduced:

NSF3O5C26H30 (1)

Stoich.:

ABC3D5E26F30 (1)

Weight, g/mol:

525.11435

ΔHf, kcal/mol:

-313.76

Dipole, Da:

7.75

IP(EA), eV:

 -9.37(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(13S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] 2,4-dichloro-5-sulfamoylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C)CCC2=C[C@@H](CCC2)OC(=O)[C@@](C3=CC=CC=C3)(C(F)(F)F)OC

DOS

IR

Vibrations