Geometry & MOs

Info

ID:

49828

PubChem CID:

11533927

Reduced:

ClON3F7H11C25 (1)

Stoich.:

ABC3D7E11F25 (1)

Weight, g/mol:

537.139066

ΔHf, kcal/mol:

-274.74

Dipole, Da:

7.91

IP(EA), eV:

 -8.88(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[[4-chloro-3-[2-(methylamino)ethoxy]-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C2=NC3=C(N2)C4=C(C=C(C=C4)C(C(F)(F)F)(C(F)(F)F)O)C5=C3C=CC(=C5)Cl)C#N

DOS

IR

Vibrations