Geometry & MOs

Info

ID:	81913
PubChem CID:	49855343
Reduced:	O2F3H9C16 (1)
Stoich.:	A2B3C9D16 (1)
Weight, g/mol:	738.11028
ΔH_f, kcal/mol:	-167.62
Dipole, Da:	3.75
IP(EA), eV:	-9.38(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[11-bromo-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)undecyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C\2/C3=CC=CC=C3C(=O)O2)C(F)(F)F

DOS

IR

Vibrations