Geometry & MOs

Info

ID:	242719
PubChem CID:	99205865
Reduced:	SCl2N3O5C16H17 (1)
Stoich.:	AB2C3D5E16F17 (1)
Weight, g/mol:	430.98606
ΔH_f, kcal/mol:	-151.26
Dipole, Da:	5.73
IP(EA), eV:	-9.8(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]-5-methylsulfonylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCN(CCC(=O)OC)S(=O)(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)Cl

DOS

IR

Vibrations