Geometry & MOs

Info

ID:	207243
PubChem CID:	80364696
Reduced:	ClN3C13H22 (1)
Stoich.:	AB3C13D22 (1)
Weight, g/mol:	275.119129
ΔH_f, kcal/mol:	-7.96
Dipole, Da:	2.35
IP(EA), eV:	-8.86(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethoxybutanoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1Cl)N)C2CCCCC2

DOS

IR

Vibrations