Geometry & MOs

Info

ID:

448158

PubChem CID:

135288894

Reduced:

FSO3N7H26C34 (1)

Stoich.:

ABC3D7E26F34 (1)

Weight, g/mol:

631.180187

ΔHf, kcal/mol:

52.4

Dipole, Da:

14.86

IP(EA), eV:

 -8.38(-1.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C(C1=CC(=CC(=C1)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)F)N

DOS

IR

Vibrations