Geometry & MOs

Info

ID:	240779
PubChem CID:	93617489
Reduced:	ClSN2O4C14H15 (1)
Stoich.:	ABC2D4E14F15 (1)
Weight, g/mol:	232.088164
ΔH_f, kcal/mol:	-123.91
Dipole, Da:	1.8
IP(EA), eV:	-9.54(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-(2-methylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC)S(=O)(=O)CC1=COC(=N1)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations