Geometry & MOs

Info

ID:

229008

PubChem CID:

87566766

Reduced:

ClFSN4O5C28H38 (1)

Stoich.:

ABCD4E5F28G38 (1)

Weight, g/mol:

560.24687

ΔHf, kcal/mol:

-186.09

Dipole, Da:

5.89

IP(EA), eV:

 -8.26(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-[(Z)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]-2-(4-ethoxy-4-oxobutyl)triazole-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CCCN1N(C=CN1C(=O)OCC)/C=C\2/CN(CCC2S)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl

DOS

IR

Vibrations