Geometry & MOs

Info

ID:

447845

PubChem CID:

135286296

Reduced:

OSN7H27C30 (1)

Stoich.:

ABC7D27E30 (1)

Weight, g/mol:

555.18413

ΔHf, kcal/mol:

160.39

Dipole, Da:

8.66

IP(EA), eV:

 -8.57(-2.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(2Z)-2-[5-[5-[(benzylamino)methyl]pyridin-3-yl]-1,2-dihydropyrazolo[3,4-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(NN4)N=CC(=C5)C6=CN=CC(=C6)CN7CCCCC7)/C=C32

DOS

IR

Vibrations