Geometry & MOs

Info

ID:	48136
PubChem CID:	10537373
Reduced:	NO2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	229.077265
ΔH_f, kcal/mol:	-54.92
Dipole, Da:	0.85
IP(EA), eV:	-8.13(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-3-but-3-enyl-2-oxo-1,3-thiazolidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1CCC2=C(O1)C3=CC=CC=C3N2C(=O)C

DOS

IR

Vibrations