Geometry & MOs

Info

ID:	259216
PubChem CID:	103162135
Reduced:	NCl2O3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	243.092915
ΔH_f, kcal/mol:	-120.42
Dipole, Da:	6.58
IP(EA), eV:	-9.76(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclobutylacetyl)thiomorpholine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C1)CC(=O)NC2=C(C=C(C=C2Cl)C(=O)O)Cl

DOS

IR

Vibrations