Geometry & MOs

Info

ID:	29240
PubChem CID:	832491
Reduced:	BrS2H7C11 (1)
Stoich.:	AB2C7D11 (1)
Weight, g/mol:	284.068473
ΔH_f, kcal/mol:	55.47
Dipole, Da:	2.05
IP(EA), eV:	-8.55(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-acetylphenyl) 1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(S1)SC3=C2C=C(C=C3)Br

DOS

IR

Vibrations