Geometry & MOs

Info

ID:	251434
PubChem CID:	103103896
Reduced:	FSN2O4C13H15 (1)
Stoich.:	ABC2D4E13F15 (1)
Weight, g/mol:	295.099063
ΔH_f, kcal/mol:	-146.05
Dipole, Da:	6.38
IP(EA), eV:	-9.65(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(3-aminoprop-1-ynyl)phenyl]sulfonyl-ethylamino]acetamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)S(=O)(=O)C1=C(C=C(C=C1)C#CCO)F

DOS

IR

Vibrations