Geometry & MOs

Info

ID:

379663

PubChem CID:

134455303

Reduced:

SF2O4N5C22H23 (1)

Stoich.:

AB2C4D5E22F23 (1)

Weight, g/mol:

536.120894

ΔHf, kcal/mol:

-184.21

Dipole, Da:

6.2

IP(EA), eV:

 -8.61(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-chloro-2-(difluoromethyl)-N-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C(=CC(=N2)NC(=O)[C@@H]3CC3(F)F)NC4=C(C=C(C=C4)[C@H]5CCCO5)S(=O)(=O)C

DOS

IR

Vibrations