Geometry & MOs

Info

ID:

443904

PubChem CID:

135260341

Reduced:

OSN7H19C26 (1)

Stoich.:

ABC7D19E26 (1)

Weight, g/mol:

612.206736

ΔHf, kcal/mol:

200.27

Dipole, Da:

6.26

IP(EA), eV:

 -8.64(-2.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-[3-[amino(methylsulfonyl)methyl]-5-fluorophenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]pentanamide

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2=CN=CC(=C2)C3=NC\4=C(C=C3)NN/C4=C/5\C=C6C(=N5)C=CN=C6C7=CC=CS7

DOS

IR

Vibrations