Geometry & MOs

Info

ID:

84217

PubChem CID:

49865053

Reduced:

OCl2N3H15C24 (1)

Stoich.:

AB2C3D15E24 (1)

Weight, g/mol:

618.181891

ΔHf, kcal/mol:

53.22

Dipole, Da:

5.5

IP(EA), eV:

 -8.69(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-(aminomethyl)-N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C(=O)N2)(C3=CNC4=C3C=C(C=C4)Cl)C5=CNC6=C5C=C(C=C6)Cl

DOS

IR

Vibrations