Geometry & MOs

Info

ID:

49752

PubChem CID:

11533728

Reduced:

ClF2O3N4C26H31 (1)

Stoich.:

AB2C3D4E26F31 (1)

Weight, g/mol:

521.145693

ΔHf, kcal/mol:

-195.0

Dipole, Da:

7.85

IP(EA), eV:

 -9.1(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[[difluoromethyl-[5-fluoro-2-[(2-oxo-1,3-dihydroindol-6-yl)amino]pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-N-methylethanesulfonamide

Drug info:

PubChemData

Smile

C1CCN(C1)CC2(CCN(CC2)C(=O)COC3=C(C=C(C=C3)Cl)NC(=O)N)C(C4=CC=C(C=C4)F)F

DOS

IR

Vibrations