Geometry & MOs

Info

ID:	367986
PubChem CID:	127326277
Reduced:	NOSC6H9 (2)
Stoich.:	ABCD6E9 (2)
Weight, g/mol:	377.07555
ΔH_f, kcal/mol:	-52.92
Dipole, Da:	4.01
IP(EA), eV:	-8.55(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-3-phenylthiomorpholine

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1CCSCC1C2=CC=CC=C2

DOS

IR

Vibrations