Geometry & MOs

Info

ID:	709
PubChem CID:	3235
Reduced:	NS2O3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	319.033686
ΔH_f, kcal/mol:	-50.52
Dipole, Da:	6.79
IP(EA), eV:	-9.42(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O

DOS

IR

Vibrations