Geometry & MOs

Info

ID:

444106

PubChem CID:

135261335

Reduced:

FSO2N7H20C26 (1)

Stoich.:

ABC2D7E20F26 (1)

Weight, g/mol:

539.186987

ΔHf, kcal/mol:

82.19

Dipole, Da:

6.81

IP(EA), eV:

 -8.75(-2.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(3-fluorophenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC1=CC(=CC(=C1)F)C2=NC=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CN=CC=C6)/C=C32

DOS

IR

Vibrations