Geometry & MOs

Info

ID:	299522
PubChem CID:	117687226
Reduced:	NSO3C13H23 (1)
Stoich.:	ABC3D13E23 (1)
Weight, g/mol:	203.061614
ΔH_f, kcal/mol:	-168.68
Dipole, Da:	5.9
IP(EA), eV:	-9.22(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-2-oxo-1,3-thiazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(C)(CSC(C)(C)C)N=C=O

DOS

IR

Vibrations