Geometry & MOs

Info

ID:

186575

PubChem CID:

77447132

Reduced:

SN3O5H21C23 (1)

Stoich.:

AB3C5D21E23 (1)

Weight, g/mol:

532.192646

ΔHf, kcal/mol:

-84.23

Dipole, Da:

3.21

IP(EA), eV:

 -8.41(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-(cyclobutylamino)-5-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(methylsulfonylmethyl)cyclopentane-1,2-diol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C4=CC=C(C=C4)C5NC(=O)ON5

DOS

IR

Vibrations