Geometry & MOs

Info

ID:	45095
PubChem CID:	10507982
Reduced:	BrN3O4H30C33 (1)
Stoich.:	AB3C4D30E33 (1)
Weight, g/mol:	612.126776
ΔH_f, kcal/mol:	-83.02
Dipole, Da:	6.33
IP(EA), eV:	-9.16(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3,5-bis[[2-(carboxymethyl)phenoxy]carbonyl]benzoyl]oxyphenyl]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NC2=CC=CC3=C2N(C4=CC=CC=C4NC3=O)C(=O)CC5=CC=C(C=C5)CCCCBr

DOS

IR

Vibrations