Geometry & MOs

Info

ID:	184016
PubChem CID:	77102200
Reduced:	NSO4C11H19 (1)
Stoich.:	ABC4D11E19 (1)
Weight, g/mol:	247.087829
ΔH_f, kcal/mol:	-170.14
Dipole, Da:	2.88
IP(EA), eV:	-9.77(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylbut-2-enoic acid

Drug info:

PubChemData

Smile

CCC(=CCN1CCS(=O)(=O)CC1)C(=O)OC

DOS

IR

Vibrations