Geometry & MOs

Info

ID:

225879

PubChem CID:

87235904

Reduced:

N5O7F9C34H34 (1)

Stoich.:

A5B7C9D34E34 (1)

Weight, g/mol:

373.188923

ΔHf, kcal/mol:

-671.21

Dipole, Da:

4.69

IP(EA), eV:

 -9.44(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(E)-4-[(6R)-2-oxo-6-(3-oxo-4-phenylbutyl)piperidin-1-yl]but-2-enoxy]acetic acid

Drug info:

PubChemData

Smile

C1CN(C[C@H]1NC2CCC(CC2)(C3=CC=C(C=C3)C4=NC=CC=N4)O)C(=O)CNC(=O)C5=CC(=CC=C5)C(F)(F)F.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations