Geometry & MOs

Info

ID:	264723
PubChem CID:	103485810
Reduced:	BrSO4C13H15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	254.108899
ΔH_f, kcal/mol:	-140.17
Dipole, Da:	2.29
IP(EA), eV:	-9.12(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCC(=O)CS(=O)C1=CC(=CC=C1)Br

DOS

IR

Vibrations