Geometry & MOs

Info

ID:

444215

PubChem CID:

135261738

Reduced:

FSO3N7H28C35 (1)

Stoich.:

ABC3D7E28F35 (1)

Weight, g/mol:

612.206736

ΔHf, kcal/mol:

45.41

Dipole, Da:

3.37

IP(EA), eV:

 -8.53(-1.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[5-[(3E)-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]indol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC1=CC(=CC(=C1)F)C2=CC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)NC(=O)CC7=CC=CC=C7)/C=C32

DOS

IR

Vibrations