Geometry & MOs

Info

ID:	16607
PubChem CID:	473639
Reduced:	BrO5H8C10 (2)
Stoich.:	AB5C8D10 (2)
Weight, g/mol:	575.90897
ΔH_f, kcal/mol:	-316.34
Dipole, Da:	3.04
IP(EA), eV:	-9.13(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-4-(6-bromo-5-ethoxycarbonyl-7-methoxy-1,3-benzodioxol-4-yl)-7-methoxy-1,3-benzodioxole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(C(=C1Br)OC)OCO2)C3=C(C(=C(C4=C3OCO4)OC)Br)C(=O)O

DOS

IR

Vibrations