Geometry & MOs

Info

ID:	278594
PubChem CID:	103836617
Reduced:	BrNS2O5C12H18 (1)
Stoich.:	ABC2D5E12F18 (1)
Weight, g/mol:	315.150429
ΔH_f, kcal/mol:	-191.55
Dipole, Da:	3.29
IP(EA), eV:	-9.36(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-2,2-dimethylbutyl)-4-methoxy-2,6-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(CCO)CNS(=O)(=O)C1=C(SC(=C1)C(=O)OC)Br

DOS

IR

Vibrations