Geometry & MOs

Info

ID:	343070
PubChem CID:	127266243
Reduced:	NSO3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	281.108565
ΔH_f, kcal/mol:	-66.93
Dipole, Da:	3.77
IP(EA), eV:	-10.02(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-(1-hydroxybut-3-yn-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1S(=O)(=O)NC(CO)C#C

DOS

IR

Vibrations