Geometry & MOs

Info

ID:

443880

PubChem CID:

135260267

Reduced:

N8H26C29 (1)

Stoich.:

A8B26C29 (1)

Weight, g/mol:

584.175436

ΔHf, kcal/mol:

219.13

Dipole, Da:

5.75

IP(EA), eV:

 -8.52(-1.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC(=CN=C2)C3=NC\4=C(C=C3)NN/C4=C/5\C=C6C(=N5)C=CN=C6C7=CC=CC=N7

DOS

IR

Vibrations