Geometry & MOs

Info

ID:

49753

PubChem CID:

11533729

Reduced:

SF3O3N7C22H22 (1)

Stoich.:

AB3C3D7E22F22 (1)

Weight, g/mol:

521.145693

ΔHf, kcal/mol:

-166.5

Dipole, Da:

5.83

IP(EA), eV:

 -8.68(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=O)(=O)N(C)C1=C(C=CC=N1)CN(C2=NC(=NC=C2F)NC3=CC4=C(CC(=O)N4)C=C3)C(F)F

DOS

IR

Vibrations