Geometry & MOs

Info

ID:

379674

PubChem CID:

134455822

Reduced:

F2O2N7H21C22 (1)

Stoich.:

A2B2C7D21E22 (1)

Weight, g/mol:

584.221718

ΔHf, kcal/mol:

-37.44

Dipole, Da:

8.47

IP(EA), eV:

 -8.84(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R)-N-[7-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylsulfonylanilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=NC=C1C2=CC(=C(C=C2)NC3=CC(=NC4=C3NC(=N4)C(F)F)NC(=O)C5CC5)OC

DOS

IR

Vibrations