Geometry & MOs

Info

ID:

182046

PubChem CID:

76832872

Reduced:

SO3N6C24H26 (1)

Stoich.:

AB3C6D24E26 (1)

Weight, g/mol:

459.194026

ΔHf, kcal/mol:

-39.23

Dipole, Da:

4.78

IP(EA), eV:

 -9.23(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[5-(1,3-benzothiazol-2-yl)-2-[(2-hydroxy-2-methylpropyl)amino]-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)NCC2=CC=CC=C2)NC3CC(C(C3O)O)CO)C4=NC5=C(S4)C=CN=C5

DOS

IR

Vibrations