Geometry & MOs

Info

ID:	358624
PubChem CID:	127296403
Reduced:	SN3O3C16H23 (1)
Stoich.:	AB3C3D16E23 (1)
Weight, g/mol:	313.078407
ΔH_f, kcal/mol:	-92.21
Dipole, Da:	4.98
IP(EA), eV:	-8.65(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-fluoro-4H-1,3-benzodioxin-8-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=NC=C(C=C2)C(=O)N3CCS(=O)CC3

DOS

IR

Vibrations