Geometry & MOs

Info

ID:	287738
PubChem CID:	104271154
Reduced:	SBr2O2N3C13H13 (1)
Stoich.:	AB2C2D3E13F13 (1)
Weight, g/mol:	252.093249
ΔH_f, kcal/mol:	-18.9
Dipole, Da:	3.74
IP(EA), eV:	-9.1(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopentylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC=C1NCC2=C(C=C(C=N2)Br)Br

DOS

IR

Vibrations