Geometry & MOs

Info

ID:	233222
PubChem CID:	89449358
Reduced:	SN2Cl3F3O3H16C20 (1)
Stoich.:	AB2C3D3E3F16G20 (1)
Weight, g/mol:	550.240248
ΔH_f, kcal/mol:	-243.29
Dipole, Da:	4.05
IP(EA), eV:	-9.51(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[3,2-b]pyridin-7-amine

Drug info:

PubChemData

Smile

COC(NC(=O)C1=C(C=C(C=C1)C2=NSC(C2)(C3=CC(=CC(=C3)Cl)Cl)C(F)(F)F)Cl)OC

DOS

IR

Vibrations