Geometry & MOs

Info

ID:	284661
PubChem CID:	104057586
Reduced:	BrClSN2O2C12H12 (1)
Stoich.:	ABCD2E2F12G12 (1)
Weight, g/mol:	322.017891
ΔH_f, kcal/mol:	-38.89
Dipole, Da:	5.09
IP(EA), eV:	-9.9(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-cyano-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1CC(C(C1)Br)NS(=O)(=O)C2=C(C=C(C=C2)C#N)Cl

DOS

IR

Vibrations