Geometry & MOs

Info

ID:

169482

PubChem CID:

75109761

Reduced:

ClSF3O3N5H13C18 (1)

Stoich.:

ABC3D3E5F13G18 (1)

Weight, g/mol:

540.403013

ΔHf, kcal/mol:

-109.47

Dipole, Da:

9.23

IP(EA), eV:

 -8.82(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-1,4a,6-trimethyl-8-triethylsilyloxy-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-3-ol

Drug info:

PubChemData

Smile

C1C2C3C4=C(C(N3S(=O)(=O)C5=CN=C(C=C5)C(F)(F)F)C(=C2NN1)N=O)C(=CC=C4)Cl

DOS

IR

Vibrations