Geometry & MOs

Info

ID:	60866
PubChem CID:	26702752
Reduced:	BrNO6H20C23 (1)
Stoich.:	ABC6D20E23 (1)
Weight, g/mol:	452.01068
ΔH_f, kcal/mol:	-157.25
Dipole, Da:	7.58
IP(EA), eV:	-8.57(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-(4-bromo-3,5-dimethoxybenzoyl)oxybenzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OC(=O)C3=CC(=C(C(=C3)OC)Br)OC

DOS

IR

Vibrations