Geometry & MOs

Info

ID:	159022
PubChem CID:	57244567
Reduced:	ON2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	319.091201
ΔH_f, kcal/mol:	-38.08
Dipole, Da:	4.56
IP(EA), eV:	-9.03(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-acetylsulfanyl-2-methylpropanoyl)-4-ethyl-4-methyl-1,3-thiazolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CNC1)CC2=CC(=CC=C2)C(=O)N

DOS

IR

Vibrations