Geometry & MOs

Info

ID:

447866

PubChem CID:

135286438

Reduced:

FSO3N8H27C34 (1)

Stoich.:

ABC3D8E27F34 (1)

Weight, g/mol:

488.211822

ΔHf, kcal/mol:

52.92

Dipole, Da:

4.67

IP(EA), eV:

 -8.72(-2.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[4-[6-[[5-fluoro-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]pyridin-3-yl]piperazin-1-yl]ethoxy]ethanol

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC1=CC(=CC(=C1)F)C2=NC=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