Geometry & MOs

Info

ID:

309957

PubChem CID:

126570488

Reduced:

ClN5O11C57H78 (1)

Stoich.:

AB5C11D57E78 (1)

Weight, g/mol:

478.146347

ΔHf, kcal/mol:

-422.62

Dipole, Da:

10.88

IP(EA), eV:

 -9.19(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(2Z)-2-[5-(3-methoxy-5-methylphenyl)-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene]indol-4-yl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@H](C(=O)C1CCC[C@H]1C(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)OCCOCCOCCOCCOCCOC4=CC=C(C=C4)C(=O)NC5C(C(C5(C)C)OC6=CC(=C(C=C6)C#N)Cl)(C)C)C(C)(C)C)NC

DOS

IR

Vibrations