Geometry & MOs

Info

ID:

443887

PubChem CID:

135260296

Reduced:

OSN9H21C26 (1)

Stoich.:

ABC9D21E26 (1)

Weight, g/mol:

523.179044

ΔHf, kcal/mol:

212.38

Dipole, Da:

12.19

IP(EA), eV:

 -8.68(-2.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(2E)-2-[5-[5-[2-(dimethylamino)ethoxy]pyridin-3-yl]-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CN=CC(=N6)N7CC(C7)N)NN4)/C=C32

DOS

IR

Vibrations