Geometry & MOs

Info

ID:

447825

PubChem CID:

135286045

Reduced:

SF2N7H21C27 (1)

Stoich.:

AB2C7D21E27 (1)

Weight, g/mol:

493.16848

ΔHf, kcal/mol:

107.92

Dipole, Da:

4.65

IP(EA), eV:

 -8.56(-2.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-dimethyl-N-[5-[(3Z)-3-(4-thiophen-3-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

C1CN(CC1(F)F)CC2=CC(=CN=C2)C3=CC\4=C(NN/C4=C\5/C=C6C(=N5)C=CN=C6C7=CC=CS7)N=C3

DOS

IR

Vibrations