Geometry & MOs

Info

ID:

433386

PubChem CID:

135173523

Reduced:

SF3N6O6C37H43 (1)

Stoich.:

AB3C6D6E37F43 (1)

Weight, g/mol:

472.03802

ΔHf, kcal/mol:

-293.88

Dipole, Da:

6.58

IP(EA), eV:

 -8.7(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2,4-difluorophenyl]-2-(dimethylamino)ethanesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)CCOCCOC2=CC=C(C=C2)C3=CC4=C(NC=C4C(=O)C5=C(C=CC(=C5F)NS(=O)N6CCC(C6)F)F)N=C3

DOS

IR

Vibrations