Geometry & MOs

Info

ID:

439458

PubChem CID:

135229232

Reduced:

ClN5O7C39H44 (1)

Stoich.:

AB5C7D39E44 (1)

Weight, g/mol:

413.113331

ΔHf, kcal/mol:

-246.03

Dipole, Da:

3.25

IP(EA), eV:

 -8.62(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-cyclopropyl-5-ethylsulfonyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](C)C(=O)NC1=CC(=CC(=C1)CCl)CCC2=CC3=C(C=C2OC)C(=O)N4[C@@H](CC5=CC=CC=C54)C=N3)NC(=O)CCCCC(=O)OC

DOS

IR

Vibrations