Geometry & MOs

Info

ID:	240744
PubChem CID:	93617259
Reduced:	NSO3C18H27 (1)
Stoich.:	ABC3D18E27 (1)
Weight, g/mol:	232.088164
ΔH_f, kcal/mol:	-143.73
Dipole, Da:	8.04
IP(EA), eV:	-8.99(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-[[(2R)-butan-2-yl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)[C@@H](C)S(=O)(=O)CC2=CC=CC=C2C)C

DOS

IR

Vibrations