Geometry & MOs

Info

ID:	143483
PubChem CID:	53215854
Reduced:	SN3O3C11H15 (1)
Stoich.:	AB3C3D11E15 (1)
Weight, g/mol:	245.108565
ΔH_f, kcal/mol:	-116.94
Dipole, Da:	6.33
IP(EA), eV:	-9.49(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-3-(2-methylhexanoyl)-1,3-thiazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SCC(=O)NCCC(=O)O)C

DOS

IR

Vibrations