Geometry & MOs

Info

ID:	278438
PubChem CID:	103835717
Reduced:	BrFNSO3C11H15 (1)
Stoich.:	ABCDE3F11G15 (1)
Weight, g/mol:	282.103814
ΔH_f, kcal/mol:	-154.95
Dipole, Da:	4.47
IP(EA), eV:	-10.25(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-(2-hydroxy-3-methylbutyl)-2-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(CO)C(C)NS(=O)(=O)C1=CC(=C(C=C1)Br)F

DOS

IR

Vibrations