Geometry & MOs

Info

ID:	164666
PubChem CID:	74435395
Reduced:	N2O3S3C20H24 (1)
Stoich.:	A2B3C3D20E24 (1)
Weight, g/mol:	349.080636
ΔH_f, kcal/mol:	-63.57
Dipole, Da:	3.41
IP(EA), eV:	-8.58(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3-methylbutylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CSCCC(C(=O)N1CCOCC1)N2C(=O)C(=CCC3=CC=CC=C3)SC2=S

DOS

IR

Vibrations