Geometry & MOs

Info

ID:

443876

PubChem CID:

135260250

Reduced:

SO2N6H26C30 (1)

Stoich.:

AB2C6D26E30 (1)

Weight, g/mol:

644.302351

ΔHf, kcal/mol:

123.92

Dipole, Da:

7.52

IP(EA), eV:

 -8.66(-2.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CC(=CN=C6)OC7CCCCC7)NN4)/C=C32

DOS

IR

Vibrations