Geometry & MOs

Info

ID:

432446

PubChem CID:

135172579

Reduced:

F5O9C36H37 (1)

Stoich.:

A5B9C36D37 (1)

Weight, g/mol:

569.196045

ΔHf, kcal/mol:

-577.25

Dipole, Da:

3.68

IP(EA), eV:

 -9.22(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1-methylcyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C=C(CO)C(=O)OCCOC1=CC(=CC(=C1)OC(C2=CC=C(C=C2)C3=CC=C(C=C3)CCCCC(F)(F)F)(F)F)OCCOC(=O)C(=C)CO

DOS

IR

Vibrations