Geometry & MOs

Info

ID:	197910
PubChem CID:	79014976
Reduced:	NSO2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	256.088164
ΔH_f, kcal/mol:	-45.64
Dipole, Da:	4.95
IP(EA), eV:	-9.34(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminoethylsulfonyl)-N-benzylacetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C#N)CSCC(CO)O

DOS

IR

Vibrations