Geometry & MOs

Info

ID:	433203
PubChem CID:	135173340
Reduced:	O4N5C21H23 (1)
Stoich.:	A4B5C21D23 (1)
Weight, g/mol:	293.111936
ΔH_f, kcal/mol:	-29.74
Dipole, Da:	5.04
IP(EA), eV:	-9.16(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-oxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methyl methanesulfinate

Drug info:

PubChemData

Smile

CN(C)C(=O)N1C(=CN=N1)COC2=COC(=CC2=O)CN3CCC4=CC=CC=C4C3

DOS

IR

Vibrations