Geometry & MOs

Info

ID:	299547
PubChem CID:	117687472
Reduced:	SN2O6H10C12 (1)
Stoich.:	AB2C6D10E12 (1)
Weight, g/mol:	231.092915
ΔH_f, kcal/mol:	-138.26
Dipole, Da:	5.15
IP(EA), eV:	-9.87(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-4-butyl-2-oxo-1,3-thiazolidine-4-carboxylate

Drug info:

PubChemData

Smile

C[C@@]1(CSC(=O)N1)C(=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations