Geometry & MOs

Info

ID:	158979
PubChem CID:	57244341
Reduced:	ClOSiBr4C12H23 (1)
Stoich.:	ABCD4E12F23 (1)
Weight, g/mol:	662.306396
ΔH_f, kcal/mol:	-151.19
Dipole, Da:	7.05
IP(EA), eV:	-9.85(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[5-fluoro-2-[4-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]but-2-ynoxy]phenyl]-4-methyl-2-propan-2-yl-4H-1,2-benzothiazin-2-ium-3-one

Drug info:

PubChemData

Smile

CCO[Si](CCCl)(CC(CCBr)Br)CC(CCBr)Br

DOS

IR

Vibrations