Geometry & MOs

Info

ID:

319897

PubChem CID:

126657512

Reduced:

NO9C51H103 (1)

Stoich.:

AB9C51D103 (1)

Weight, g/mol:

471.213121

ΔHf, kcal/mol:

-624.99

Dipole, Da:

8.38

IP(EA), eV:

 -10.21(0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-N,N-dimethyl-2-[5-[(2E,4Z)-5-(methylideneamino)-5-(propanoylamino)penta-2,4-dien-2-yl]-1,2-dihydropyrazolo[3,4-b]pyridin-3-ylidene]imidazo[4,5-c]pyridine-7-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]([C@H](CO)O)OC(CO)[C@@H](C)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O

DOS

IR

Vibrations