Geometry & MOs

Info

ID:

84223

PubChem CID:

49865063

Reduced:

Cl2O3N4C36H38 (1)

Stoich.:

A2B3C4D36E38 (1)

Weight, g/mol:

632.161155

ΔHf, kcal/mol:

-19.45

Dipole, Da:

5.82

IP(EA), eV:

 -8.63(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N'-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N'-cyclopropyl-2-[[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]methyl]propanediamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)C[C@H](CN)C(=O)N(CC3=C4C(=CC(=C3)CCCC#N)C=CC=N4)C5CC5)Cl

DOS

IR

Vibrations