Geometry & MOs

Info

ID:

308701

PubChem CID:

126522397

Reduced:

N7O33C60H101 (1)

Stoich.:

A7B33C60D101 (1)

Weight, g/mol:

378.122909

ΔHf, kcal/mol:

-1427.75

Dipole, Da:

7.39

IP(EA), eV:

 -9.17(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-3-[4-(furan-3-yl)pyrrolo[2,3-b]pyridin-2-ylidene]-5-pyridin-2-yl-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1C(=O)COCCOCCOCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCCNC(=O)COCCOCCOCC(=O)[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)NC(=O)C)C(=O)O)NC(=O)COCCOCCOCC(=O)[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C)CO)O)O

DOS

IR

Vibrations