Geometry & MOs

Info

ID:	251129
PubChem CID:	103101682
Reduced:	ClSN3O3C11H16 (1)
Stoich.:	ABC3D3E11F16 (1)
Weight, g/mol:	271.099063
ΔH_f, kcal/mol:	-111.55
Dipole, Da:	8.17
IP(EA), eV:	-9.55(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(aminomethyl)phenyl]sulfonyl-ethylamino]acetamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)S(=O)(=O)C1=C(C=C(C=C1)CN)Cl

DOS

IR

Vibrations