Geometry & MOs

Info

ID:	200866
PubChem CID:	79456012
Reduced:	OBr3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	273.078327
ΔH_f, kcal/mol:	-41.83
Dipole, Da:	4.41
IP(EA), eV:	-9.56(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]ethoxy]acetic acid

Drug info:

PubChemData

Smile

CC(C)OCCC(CBr)(CBr)C1=CC(=CC=C1)Br

DOS

IR

Vibrations