Geometry & MOs

Info

ID:

186576

PubChem CID:

77447166

Reduced:

SO2N3C12H16 (2)

Stoich.:

AB2C3D12E16 (2)

Weight, g/mol:

524.25696

ΔHf, kcal/mol:

-121.05

Dipole, Da:

4.07

IP(EA), eV:

 -9.04(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-(1-cyclopropylethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(2-hydroxypropan-2-yl)cyclopentane-1,2-diol

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=N1)C)N=C(S2)C3=C(N=C(N=C3NC4CC(C(C4O)O)CS(=O)(=O)C)NC5CCC5)C

DOS

IR

Vibrations