Geometry & MOs

Info

ID:	17474
PubChem CID:	500303
Reduced:	BrNSO2C10H10 (1)
Stoich.:	ABCD2E10F10 (1)
Weight, g/mol:	286.96156
ΔH_f, kcal/mol:	-51.61
Dipole, Da:	3.64
IP(EA), eV:	-9.22(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-1,3-thiazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1C(NC(S1)C2=CC=C(C=C2)Br)C(=O)O

DOS

IR

Vibrations