Geometry & MOs

Info

ID:	279717
PubChem CID:	103844807
Reduced:	NSO3C16H27 (1)
Stoich.:	ABC3D16E27 (1)
Weight, g/mol:	379.04529
ΔH_f, kcal/mol:	-138.52
Dipole, Da:	3.77
IP(EA), eV:	-9.62(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)(CNS(=O)(=O)CC(C)C1=CC=CC=C1)CO

DOS

IR

Vibrations