Geometry & MOs

Info

ID:

379672

PubChem CID:

134455808

Reduced:

SO2N4C12H16 (1)

Stoich.:

AB2C4D12E16 (1)

Weight, g/mol:

632.214107

ΔHf, kcal/mol:

-31.64

Dipole, Da:

4.27

IP(EA), eV:

 -8.59(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S)-N-[2-(difluoromethyl)-7-[4-(3-methylimidazol-4-yl)-2-[methyl(methylsulfonyl)amino]anilino]-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)N)N(C)S(=O)(=O)C

DOS

IR

Vibrations