Geometry & MOs

Info

ID:

448087

PubChem CID:

135288372

Reduced:

SF2N6O16C40H42 (1)

Stoich.:

AB2C6D16E40F42 (1)

Weight, g/mol:

464.170922

ΔHf, kcal/mol:

-558.98

Dipole, Da:

5.83

IP(EA), eV:

 -9.25(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(furan-3-yl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)ON3C=C(N=N3)C4=CC=C(C=C4)F)OC(=O)C)OC(=O)C)ON5C=C(N=N5)C6=CC=C(C=C6)F)OC(=O)C

DOS

IR

Vibrations