Geometry & MOs

Info

ID:

447909

PubChem CID:

135286738

Reduced:

OSN7H21C26 (1)

Stoich.:

ABC7D21E26 (1)

Weight, g/mol:

561.194694

ΔHf, kcal/mol:

164.14

Dipole, Da:

10.29

IP(EA), eV:

 -8.78(-2.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(5-acetylthiophen-2-yl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CN=CC5=N4)C6=CSC=C6)/NN3

DOS

IR

Vibrations