Geometry & MOs

Info

ID:

299029

PubChem CID:

117668085

Reduced:

ON4H24C25 (1)

Stoich.:

AB4C24D25 (1)

Weight, g/mol:

543.166429

ΔHf, kcal/mol:

88.82

Dipole, Da:

5.03

IP(EA), eV:

 -8.34(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4R)-4-hydroxy-2-methyl-4-[5-[3-(1H-pyrazol-4-yl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN=C2C=C(NN2C1C3=CC=CC=C3N)C4=CC=C(C=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations