Geometry & MOs

Info

ID:

162409

PubChem CID:

57394570

Reduced:

F2Cl3O4N5C32H34 (1)

Stoich.:

A2B3C4D5E32F34 (1)

Weight, g/mol:

582.24539

ΔHf, kcal/mol:

-187.48

Dipole, Da:

7.02

IP(EA), eV:

 -9.23(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-cyclopropyl-N-[(3-methoxy-2-methylpyridin-4-yl)methyl]-6-oxo-1-[4-[3-(2,3,6-trifluorophenoxy)propyl]phenyl]piperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)OCCOC2=NC=C(C=C2)N3[C@H](CNCC3=O)C(=O)N(CC4=C(C=CC(=C4)CNCC(F)F)Cl)C5CC5)Cl

DOS

IR

Vibrations