Geometry & MOs

Info

ID:

325248

PubChem CID:

126682288

Reduced:

S2F3O3N6C33H37 (1)

Stoich.:

A2B3C3D6E33F37 (1)

Weight, g/mol:

626.105151

ΔHf, kcal/mol:

-188.49

Dipole, Da:

8.51

IP(EA), eV:

 -8.96(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[2-(dimethylamino)-5-[2-(3-methylsulfonylpropylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=C(S1)C2=NC(=NC=C2)N[C@H]3CCCN(C3)C(=O)CC(C)(C)C)C4=CC(=C(C=C4)F)NS(=O)(=O)C5=C(C=CC(=C5)F)F

DOS

IR

Vibrations