Geometry & MOs

Info

ID:

432797

PubChem CID:

135172934

Reduced:

F2N10O17C56H74 (1)

Stoich.:

A2B10C17D56E74 (1)

Weight, g/mol:

495.249507

ΔHf, kcal/mol:

-810.05

Dipole, Da:

7.58

IP(EA), eV:

 -8.94(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclobutyl-[[5-[(3Z)-3-(7-piperidin-1-ylimidazo[4,5-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]methanol

Drug info:

PubChemData

Smile

C[C@@H](C(N(C)[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCN([C@@H](C1=CC(=CN1CC2=CC=CC=C2)C3=C(C=CC(=C3)F)F)C(C)(C)C)C(=O)CO)C(=O)NCCC(=O)N[C@H](CCC(=O)O)C(=O)O)O)NC(=O)CCCC(=O)ON4C(=O)CCC4=O

DOS

IR

Vibrations