Geometry & MOs

Info

ID:	251130
PubChem CID:	103101685
Reduced:	SN3O3C11H17 (1)
Stoich.:	AB3C3D11E17 (1)
Weight, g/mol:	285.114713
ΔH_f, kcal/mol:	-105.96
Dipole, Da:	7.76
IP(EA), eV:	-9.54(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(aminomethyl)phenyl]methylsulfonyl-ethylamino]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations