Geometry & MOs

Info

ID:

448159

PubChem CID:

135288895

Reduced:

FSO3N7H26C34 (1)

Stoich.:

ABC3D7E26F34 (1)

Weight, g/mol:

518.223038

ΔHf, kcal/mol:

46.2

Dipole, Da:

13.15

IP(EA), eV:

 -8.07(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(5-pyridin-2-yl-1,2-dihydroindazol-3-ylidene)pyrrolo[3,2-c]pyridine

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC1=CC(=CC(=C1)F)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=C5)C6=CC(=CN=C6)NC(=O)C7=CC=CC=C7)NN4)/C=C32

DOS

IR

Vibrations