Geometry & MOs

Info

ID:	371035
PubChem CID:	127342216
Reduced:	SN2O4C12H22 (1)
Stoich.:	AB2C4D12E22 (1)
Weight, g/mol:	258.140199
ΔH_f, kcal/mol:	-187.85
Dipole, Da:	4.25
IP(EA), eV:	-9.76(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-(oxan-3-ylmethyl)thiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCS1(=O)=O)C(=O)NCC2CCCOC2

DOS

IR

Vibrations