Geometry & MOs

Info

ID:

375715

PubChem CID:

134220916

Reduced:

PN5O8C18H26 (1)

Stoich.:

AB5C8D18E26 (1)

Weight, g/mol:

482.176856

ΔHf, kcal/mol:

-354.98

Dipole, Da:

5.71

IP(EA), eV:

 -8.88(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[4-[3-[6-methylidene-1-(2-methylsulfanylethyl)piperidin-2-yl]propyl]phenoxy]-5-(trifluoromethyl)pyridin-3-yl]phosphane

Drug info:

PubChemData

Smile

CCOC(=O)C[C@H](C)O[P@@]1(=O)OC[C@@H]2[C@@H](O1)[C@@H]([C@@H](O2)N3C=NC4=C3N=C(N=C4OC)N)C

DOS

IR

Vibrations