Geometry & MOs

Info

ID:

223859

PubChem CID:

85335669

Reduced:

SF3N3O7C28H32 (1)

Stoich.:

AB3C3D7E28F32 (1)

Weight, g/mol:

614.127823

ΔHf, kcal/mol:

-354.52

Dipole, Da:

5.33

IP(EA), eV:

 -9.19(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-17-(2-oxooxolan-3-yl)sulfanylcarbonyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 1,3-dithiolane-2-carboxylate

Drug info:

PubChemData

Smile

CC(=C1C(=O)CC(CC1=O)(C)C)NCCCCC(C(=O)NO)NS(=O)(=O)C2=CC(=C(C(=C2)F)OC3=CC=C(C=C3)F)F

DOS

IR

Vibrations