Geometry & MOs

Info

ID:

443874

PubChem CID:

135260248

Reduced:

FSO3N8H25C30 (1)

Stoich.:

ABC3D8E25F30 (1)

Weight, g/mol:

596.175436

ΔHf, kcal/mol:

55.86

Dipole, Da:

9.6

IP(EA), eV:

 -8.2(-1.72)

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-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C(C1=CC(=CC(=C1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(=O)C7CC7)NN4)/C=C32)F)N

DOS

IR

Vibrations