Geometry & MOs

Info

ID:	225902
PubChem CID:	87246405
Reduced:	NPBr2O7C22H24 (1)
Stoich.:	ABC2D7E22F24 (1)
Weight, g/mol:	624.93236
ΔH_f, kcal/mol:	-264.86
Dipole, Da:	7.28
IP(EA), eV:	-8.66(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[5-[2,6-dibromo-4-(1-hydroxy-1-phosphorosoethyl)phenoxy]-2-hydroxybenzoyl]amino]ethyl]benzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN1C(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3Br)C(C)(O)P=O)Br)O

DOS

IR

Vibrations