Geometry & MOs

Info

ID:	276964
PubChem CID:	103826006
Reduced:	OSN2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	310.96156
ΔH_f, kcal/mol:	-1.04
Dipole, Da:	5.16
IP(EA), eV:	-9.07(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-bromo-2-(1,3-thiazol-2-ylmethoxy)phenyl]ethanone

Drug info:

PubChemData

Smile

CC(C(C)SCC1=CC(=NC=C1)C#N)O

DOS

IR

Vibrations