Geometry & MOs

Info

ID:	358634
PubChem CID:	127296413
Reduced:	SN2O3C13H22 (1)
Stoich.:	AB2C3D13E22 (1)
Weight, g/mol:	309.103479
ΔH_f, kcal/mol:	-138.48
Dipole, Da:	4.51
IP(EA), eV:	-8.85(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)N1CC(CC1=O)C(=O)N2CCS(=O)CC2

DOS

IR

Vibrations