Geometry & MOs

Info

ID:	167096
PubChem CID:	74779406
Reduced:	N2S2O3C12H15 (1)
Stoich.:	A2B2C3D12E15 (1)
Weight, g/mol:	315.047324
ΔH_f, kcal/mol:	-48.13
Dipole, Da:	15.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759316
Charge, e:	-1

Chem-info

IUPAC name:

4-[5-(morpholin-4-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate

Drug info:

PubChemData

Smile

CC(C(=O)[O-])N1C(=O)C(=CN2CCCCC2)SC1=S

DOS

IR

Vibrations