Geometry & MOs

Info

ID:	278331
PubChem CID:	103834898
Reduced:	FN2S2O3C12H15 (1)
Stoich.:	AB2C2D3E12F15 (1)
Weight, g/mol:	325.080636
ΔH_f, kcal/mol:	-114.27
Dipole, Da:	4.54
IP(EA), eV:	-8.8(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-hydroxypropylsulfanyl)ethyl]naphthalene-1-sulfonamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)S(=O)(=O)NCCSCCCO)C#N)F

DOS

IR

Vibrations