Geometry & MOs

Info

ID:

186962

PubChem CID:

77508170

Reduced:

ClF2N2O5C28H33 (1)

Stoich.:

AB2C2D5E28F33 (1)

Weight, g/mol:

565.275213

ΔHf, kcal/mol:

-266.54

Dipole, Da:

6.5

IP(EA), eV:

 -9.19(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[3-fluoro-2-(2-fluoro-5-methylphenyl)phenyl]-4-hydroxy-4-[1-[4-(methylaminomethyl)benzoyl]piperidin-3-yl]butyl]carbamic acid

Drug info:

PubChemData

Smile

COCCCC1=CC(=C(C=C1)Cl)CN(C2CC2)C(=O)C3CN(CCC3(C4=CC(=C(C=C4)F)F)OC)C(=O)O

DOS

IR

Vibrations