Geometry & MOs

Info

ID:	231664
PubChem CID:	87574409
Reduced:	Br3O3H9C11 (1)
Stoich.:	A3B3C9D11 (1)
Weight, g/mol:	259.0667
ΔH_f, kcal/mol:	-76.98
Dipole, Da:	3.29
IP(EA), eV:	-9.61(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(3-amino-5-phenylphenoxy) ethanethioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC(CC(=C(Br)Br)C(=O)O)Br

DOS

IR

Vibrations