Geometry & MOs

Info

ID:

443893

PubChem CID:

135260313

Reduced:

OSN7H23C27 (1)

Stoich.:

ABC7D23E27 (1)

Weight, g/mol:

547.21543

ΔHf, kcal/mol:

161.58

Dipole, Da:

6.33

IP(EA), eV:

 -8.64(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-cyclohexyl-N-[5-[(3E)-3-[4-(5-methylthiophen-2-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C/4\C=C5C(=N4)C=CN=C5C6=CC=CS6

DOS

IR

Vibrations