Geometry & MOs

Info

ID:	312451
PubChem CID:	126605354
Reduced:	BrN2H15C24 (1)
Stoich.:	AB2C15D24 (1)
Weight, g/mol:	248.94591
ΔH_f, kcal/mol:	122.81
Dipole, Da:	3.42
IP(EA), eV:	-7.61(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(5-bromo-1,3-thiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3N4C5=CC=CC=C5C6=C4C2=CC(=C6)Br

DOS

IR

Vibrations