Geometry & MOs

Info

ID:

229513

PubChem CID:

87567900

Reduced:

NPF2O8C22H26 (1)

Stoich.:

ABC2D8E22F26 (1)

Weight, g/mol:

480.139818

ΔHf, kcal/mol:

-472.65

Dipole, Da:

3.34

IP(EA), eV:

 -9.27(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[(Z)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]pyrazol-1-yl]-N-hydroxyacetamide;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC=C1OCCCCNC(=O)CCC2=CC=C(C=C2)OP(=O)(C(F)F)O)O

DOS

IR

Vibrations