Geometry & MOs

Info

ID:

308721

PubChem CID:

126522417

Reduced:

N7H17C20 (1)

Stoich.:

A7B17C20 (1)

Weight, g/mol:

739.197077

ΔHf, kcal/mol:

196.2

Dipole, Da:

6.27

IP(EA), eV:

 -8.32(-2.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(2E)-2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene]pyrrolo[2,3-b]pyridin-4-yl]-5-fluoroanilino]ethyl]-N-methylsulfonylmethanesulfonamide

Drug info:

PubChemData

Smile

CN(C)C1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C=CC=NC5=N4)/NN3

DOS

IR

Vibrations