Geometry & MOs

Info

ID:	402058
PubChem CID:	135054102
Reduced:	O2H16C17 (1)
Stoich.:	A2B16C17 (1)
Weight, g/mol:	640.00073
ΔH_f, kcal/mol:	6.68
Dipole, Da:	1.84
IP(EA), eV:	-9.29(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/[C@H]([C@@H]2C(O2)C3=CC=CC=C3)O

DOS

IR

Vibrations