Geometry & MOs

Info

ID:

186937

PubChem CID:

77507123

Reduced:

Cl3N3O7C44H56 (1)

Stoich.:

A3B3C7D44E56 (1)

Weight, g/mol:

771.260869

ΔHf, kcal/mol:

-307.75

Dipole, Da:

4.32

IP(EA), eV:

 -8.95(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[[5-(2-acetamidoethyl)-2-chlorophenyl]methyl-cyclopropylcarbamoyl]-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)C3CCN(CC3C(=O)N(CC4=C(C=CC(=C4)CCN(C)C(=O)OC(C)(C)C)Cl)C5CC5)C(=O)OC(C)(C)C)Cl

DOS

IR

Vibrations