Geometry & MOs

Info

ID:

379676

PubChem CID:

134455912

Reduced:

SO4N5C22H25 (1)

Stoich.:

AB4C5D22E25 (1)

Weight, g/mol:

575.201397

ΔHf, kcal/mol:

-90.52

Dipole, Da:

3.22

IP(EA), eV:

 -8.57(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-difluoro-N-[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C(=CC(=N2)NC(=O)C3CC3)NC4=C(C=C(C=C4)[C@@H]5CCCO5)S(=O)(=O)C

DOS

IR

Vibrations