Geometry & MOs

Info

ID:	184015
PubChem CID:	77102098
Reduced:	NSO2C12H21 (1)
Stoich.:	ABC2D12E21 (1)
Weight, g/mol:	261.103479
ΔH_f, kcal/mol:	-87.0
Dipole, Da:	1.64
IP(EA), eV:	-8.53(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylbut-2-enoate

Drug info:

PubChemData

Smile

CCC(=CCN1CCCSCC1)C(=O)OC

DOS

IR

Vibrations