Geometry & MOs

Info

ID:	299535
PubChem CID:	117687329
Reduced:	SO4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	217.077265
ΔH_f, kcal/mol:	-179.72
Dipole, Da:	6.22
IP(EA), eV:	-8.92(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-butyl-2-oxo-1,3-thiazolidine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)SCC(C)(C(=O)O)C(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations