Geometry & MOs

Info

ID:	293376
PubChem CID:	117386455
Reduced:	NSO3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	253.077265
ΔH_f, kcal/mol:	-73.45
Dipole, Da:	6.67
IP(EA), eV:	-9.81(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylamino)-1-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

Drug info:

PubChemData

Smile

C1CC1S(=O)(=O)C2=CC=C(C=C2)C(=O)CCN

DOS

IR

Vibrations