Geometry & MOs

Info

ID:	279703
PubChem CID:	103844747
Reduced:	NSO3C8H19 (1)
Stoich.:	ABC3D8E19 (1)
Weight, g/mol:	363.05038
ΔH_f, kcal/mol:	-158.61
Dipole, Da:	4.1
IP(EA), eV:	-9.95(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCC(CC)(CNS(=O)(=O)C)CO

DOS

IR

Vibrations