Geometry & MOs

Info

ID:	207244
PubChem CID:	80365887
Reduced:	NSO4C12H21 (1)
Stoich.:	ABC4D12E21 (1)
Weight, g/mol:	289.134779
ΔH_f, kcal/mol:	-193.12
Dipole, Da:	4.37
IP(EA), eV:	-9.58(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxy-3-methylbutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1N(C(CS1)C(=O)O)C(=O)CCCOCC

DOS

IR

Vibrations