Geometry & MOs

Info

ID:	343669
PubChem CID:	127266845
Reduced:	NSO3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	281.108565
ΔH_f, kcal/mol:	-55.53
Dipole, Da:	3.75
IP(EA), eV:	-9.95(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-(4-hydroxybut-2-ynyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1S(=O)(=O)NCC#CCO

DOS

IR

Vibrations