Geometry & MOs

Info

ID:

327639

PubChem CID:

126690585

Reduced:

N2F3O6H35C40 (1)

Stoich.:

A2B3C6D35E40 (1)

Weight, g/mol:

662.310435

ΔHf, kcal/mol:

-301.55

Dipole, Da:

3.59

IP(EA), eV:

 -8.86(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[3-(4-hydroxyphenyl)propanoyl]piperidine-4-carbonyl]-[[4-[5-[4-(4-methylphenyl)phenyl]-1,2,4-oxadiazolidin-3-yl]phenyl]methyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)CN(CC(=O)O)C(=O)C4=CC=C(C=C4)NC(=O)CC5=C(C=C(CC5)OC)C(F)(F)F

DOS

IR

Vibrations