Geometry & MOs

Info

ID:	197037
PubChem CID:	78911926
Reduced:	OSBr2N3C13H19 (1)
Stoich.:	ABC2D3E13F19 (1)
Weight, g/mol:	284.10823
ΔH_f, kcal/mol:	-5.18
Dipole, Da:	4.0
IP(EA), eV:	-8.43(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-propan-2-yloxypropan-2-ol

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCNC(=O)C2=CC(=C(S2)Br)Br

DOS

IR

Vibrations