Geometry & MOs

Info

ID:	251131
PubChem CID:	103101687
Reduced:	SN3O3C12H19 (1)
Stoich.:	AB3C3D12E19 (1)
Weight, g/mol:	289.089641
ΔH_f, kcal/mol:	-112.68
Dipole, Da:	6.0
IP(EA), eV:	-9.68(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(aminomethyl)-3-fluorophenyl]sulfonyl-ethylamino]acetamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)S(=O)(=O)CC1=CC=CC(=C1)CN

DOS

IR

Vibrations