Geometry & MOs

Info

ID:	367987
PubChem CID:	127326278
Reduced:	NS2O4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	377.07555
ΔH_f, kcal/mol:	-101.26
Dipole, Da:	6.41
IP(EA), eV:	-8.51(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-phenylthiomorpholine

Drug info:

PubChemData

Smile

C1CSCC(N1S(=O)(=O)C2=CC=CC3=C2OCCO3)C4=CC=CC=C4

DOS

IR

Vibrations