Geometry & MOs

Info

ID:

134234

PubChem CID:

51666158

Reduced:

FO2N4H19C26 (1)

Stoich.:

AB2C4D19E26 (1)

Weight, g/mol:

501.229742

ΔHf, kcal/mol:

22.88

Dipole, Da:

6.91

IP(EA), eV:

 -8.81(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

bis(prop-2-enyl) (5R,6R,7S,8S,9R)-7-(4-tert-butylphenyl)-9-hydroxy-9-methyl-3-sulfanylidene-1,2,4-triazaspiro[4.5]decane-6,8-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)[C@H]2[C@H]([C@@]([C@@H]3N2C4=C(C=C3)C=C(C=C4)F)(C#N)C(=O)N)C5=CN=CC=C5

DOS

IR

Vibrations