Geometry & MOs

Info

ID:	353288
PubChem CID:	127284468
Reduced:	SN3O3C12H13 (1)
Stoich.:	AB3C3D12E13 (1)
Weight, g/mol:	317.140927
ΔH_f, kcal/mol:	-72.65
Dipole, Da:	4.05
IP(EA), eV:	-9.59(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]urea

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCN1C(=O)C2=CNC3=C2C=CC=N3

DOS

IR

Vibrations