Geometry & MOs

Info

ID:	166574
PubChem CID:	74711226
Reduced:	NS2O4C16H16 (1)
Stoich.:	AB2C4D16E16 (1)
Weight, g/mol:	377.062974
ΔH_f, kcal/mol:	-97.11
Dipole, Da:	2.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.784783
Charge, e:	-1

Chem-info

IUPAC name:

2-[[2-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetyl]amino]pentanoate

Drug info:

PubChemData

Smile

CCCC(C(=O)[O-])N1C(=O)C(=CC2=CC(=CC=C2)OC)SC1=S

DOS

IR

Vibrations