Geometry & MOs

Info

ID:	343668
PubChem CID:	127266844
Reduced:	SO3N4C14H20 (1)
Stoich.:	AB3C4D14E20 (1)
Weight, g/mol:	253.077265
ΔH_f, kcal/mol:	-64.11
Dipole, Da:	8.42
IP(EA), eV:	-9.65(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-(4-hydroxybut-2-ynyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCN1C(=C(N=N1)C)CNS(=O)(=O)C2=C(C=C(C=C2)OC)C

DOS

IR

Vibrations