Geometry & MOs

Info

ID:	12195
PubChem CID:	132147
Reduced:	NS3O4C12H13 (1)
Stoich.:	AB3C4D12E13 (1)
Weight, g/mol:	331.000671
ΔH_f, kcal/mol:	-137.38
Dipole, Da:	5.35
IP(EA), eV:	-9.25(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(thiophene-2-carbonylsulfanyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C(=O)N1CSCC1C(=O)O)SC(=O)C2=CC=CS2

DOS

IR

Vibrations