Geometry & MOs

Info

ID:

84218

PubChem CID:

49865056

Reduced:

N2Cl3O4C32H37 (1)

Stoich.:

A2B3C4D32E37 (1)

Weight, g/mol:

627.182225

ΔHf, kcal/mol:

-114.43

Dipole, Da:

6.16

IP(EA), eV:

 -8.66(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)C[C@H](CN)C(=O)N(CC3=C(C=CC(=C3)CCOC)Cl)C4CC4)Cl

DOS

IR

Vibrations