Geometry & MOs

Info

ID:

325247

PubChem CID:

126682280

Reduced:

F2N4H18C19 (1)

Stoich.:

A2B4C18D19 (1)

Weight, g/mol:

686.232066

ΔHf, kcal/mol:

22.24

Dipole, Da:

4.37

IP(EA), eV:

 -9.33(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[5-[2-[[(3S)-1-(3,3-dimethylbutanoyl)piperidin-3-yl]amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC=C2F)C(=NC1(C)C)C3=CN4C(=C(C=N4)F)N=C3)C

DOS

IR

Vibrations