Geometry & MOs

Info

ID:

49868

PubChem CID:

11534054

Reduced:

NF2O3C13H18 (2)

Stoich.:

AB2C3D13E18 (2)

Weight, g/mol:

548.181744

ΔHf, kcal/mol:

-459.78

Dipole, Da:

4.71

IP(EA), eV:

 -9.76(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]1CCCCN(C1=O)CC2=CC(=C(C=C2)F)C(F)(F)F)OC)O)O)O

DOS

IR

Vibrations