Geometry & MOs

Info

ID:

190107

PubChem CID:

77954566

Reduced:

SF3O4N6C27H31 (1)

Stoich.:

AB3C4D6E27F31 (1)

Weight, g/mol:

471.205259

ΔHf, kcal/mol:

-266.28

Dipole, Da:

5.86

IP(EA), eV:

 -8.22(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-amino-5-[[2-(cyclopropylmethylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-3-(1-hydroxyethyl)cyclopentane-1,2-diol

Drug info:

PubChemData

Smile

CC1C2=C(C=CN1)SC(=N2)C3=C(N=C(N=C3NC4CC(C(C4O)O)CO)NC(C)C5=CC=C(C=C5)OC(F)(F)F)C

DOS

IR

Vibrations