Geometry & MOs

Info

ID:	278183
PubChem CID:	103833917
Reduced:	BrClSN2O3C10H12 (1)
Stoich.:	ABCD2E3F10G12 (1)
Weight, g/mol:	296.119464
ΔH_f, kcal/mol:	-92.91
Dipole, Da:	4.01
IP(EA), eV:	-9.68(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)S(=O)(=O)C2=C(N=CC(=C2)Br)Cl)CO

DOS

IR

Vibrations