Geometry & MOs

Info

ID:	28157
PubChem CID:	825917
Reduced:	NSO4C11H15 (1)
Stoich.:	ABC4D11E15 (1)
Weight, g/mol:	241.040879
ΔH_f, kcal/mol:	-81.89
Dipole, Da:	5.16
IP(EA), eV:	-10.51(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)amino] acetate

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)C

DOS

IR

Vibrations