Geometry & MOs

Info

ID:	372396
PubChem CID:	131296964
Reduced:	NSO2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	225.08235
ΔH_f, kcal/mol:	-71.63
Dipole, Da:	6.42
IP(EA), eV:	-9.7(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)propan-1-amine

Drug info:

PubChemData

Smile

CC(CN)C1=CC2=C(C=C1)S(=O)(=O)CC2

DOS

IR

Vibrations