Geometry & MOs

Info

ID:	358613
PubChem CID:	127296372
Reduced:	NO2S2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	373.06538
ΔH_f, kcal/mol:	-59.16
Dipole, Da:	5.31
IP(EA), eV:	-8.57(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(S2)C(=O)N3CCS(=O)CC3

DOS

IR

Vibrations