Geometry & MOs

Info

ID:	278563
PubChem CID:	103836508
Reduced:	BrFNSO3C12H17 (1)
Stoich.:	ABCDE3F12G17 (1)
Weight, g/mol:	313.134779
ΔH_f, kcal/mol:	-165.91
Dipole, Da:	4.22
IP(EA), eV:	-9.02(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-2,2-dimethylbutyl)-3-propanoylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(CCO)CNS(=O)(=O)C1=C(C=C(C=C1)F)Br

DOS

IR

Vibrations