Geometry & MOs

Info

ID:

49743

PubChem CID:

11533712

Reduced:

OCl2F3N5H18C24 (1)

Stoich.:

AB2C3D5E18F24 (1)

Weight, g/mol:

520.150444

ΔHf, kcal/mol:

-95.9

Dipole, Da:

3.44

IP(EA), eV:

 -9.23(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[difluoromethyl-[5-fluoro-2-[(2-oxo-1,3-dihydroindol-7-yl)amino]pyrimidin-4-yl]amino]methyl]-6-methylphenyl]-N-methylmethanesulfonamide

Drug info:

PubChemData

Smile

C1CC1C2=NC3=C(N2CC4=CC=C(C=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F)C(=NC=C3)Cl

DOS

IR

Vibrations