Geometry & MOs

Info

ID:

228927

PubChem CID:

87566260

Reduced:

FOSN4C26H27 (1)

Stoich.:

ABCD4E26F27 (1)

Weight, g/mol:

494.155468

ΔHf, kcal/mol:

45.24

Dipole, Da:

3.56

IP(EA), eV:

 -8.82(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-[(Z)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]triazol-1-yl]butanoic acid;hydrochloride

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C4=NN(C=C4)CC5=CC=CC=N5)/C3)S

DOS

IR

Vibrations