Geometry & MOs

Info

ID:	240746
PubChem CID:	93617266
Reduced:	SN2O3C9H16 (1)
Stoich.:	AB2C3D9E16 (1)
Weight, g/mol:	232.088164
ΔH_f, kcal/mol:	-145.3
Dipole, Da:	6.55
IP(EA), eV:	-9.37(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)N1CSC[C@H]1C(=O)O

DOS

IR

Vibrations