Geometry & MOs

Info

ID:

222841

PubChem CID:

85332707

Reduced:

NS2F3O5C26H28 (1)

Stoich.:

AB2C3D5E26F28 (1)

Weight, g/mol:

555.270877

ΔHf, kcal/mol:

-303.56

Dipole, Da:

9.73

IP(EA), eV:

 -9.84(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4a-benzyl-7-[[5-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-3-yl]methoxy]-2-(trifluoromethyl)-1,3,4,9,10,10a-hexahydrophenanthren-2-ol

Drug info:

PubChemData

Smile

CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)SCF)OC(=O)C5=NSC=C5)C)O)F)C)F

DOS

IR

Vibrations