Geometry & MOs

Info

ID:	337403
PubChem CID:	127257088
Reduced:	NSO3C19H35 (1)
Stoich.:	ABC3D19E35 (1)
Weight, g/mol:	175.030314
ΔH_f, kcal/mol:	-181.81
Dipole, Da:	6.28
IP(EA), eV:	-8.79(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5S)-5-formylthiomorpholine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCC(=O)CCCCOC(=O)[C@@H]1CSCCN1

DOS

IR

Vibrations