Geometry & MOs

Info

ID:

81811

PubChem CID:

49855193

Reduced:

O2S2F3N5C18H20 (1)

Stoich.:

A2B2C3D5E18F20 (1)

Weight, g/mol:

498.20248

ΔHf, kcal/mol:

-185.63

Dipole, Da:

4.87

IP(EA), eV:

 -8.62(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S)-3-[(dimethylamino)methyl]-1-N-[4-methyl-5-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-3-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCN([C@@H]1C(=O)N)C(=O)NC2=NC(=C(S2)C3=CSC(=N3)C4(CC4)C(F)(F)F)C

DOS

IR

Vibrations