Geometry & MOs

Info

ID:

228795

PubChem CID:

87565805

Reduced:

OH14C17 (2)

Stoich.:

AB14C17 (2)

Weight, g/mol:

480.139818

ΔHf, kcal/mol:

46.27

Dipole, Da:

0.65

IP(EA), eV:

 -7.7(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=C3C(=C(C4=CC=CC=C42)C5=CC=CC=C5C)C(=C6C=CC=CC6=C3OC)OC

DOS

IR

Vibrations