Geometry & MOs

Info

ID:	176551
PubChem CID:	76066026
Reduced:	SN2O5C24H34 (1)
Stoich.:	AB2C5D24E34 (1)
Weight, g/mol:	552.9671
ΔH_f, kcal/mol:	-225.57
Dipole, Da:	5.44
IP(EA), eV:	-8.73(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[3,5-dibromo-4-[4-hydroxy-3-[(6-oxo-3H-pyridazin-3-yl)methyl]phenoxy]phenyl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCC3(C2C(=O)O)CCCSC3

DOS

IR

Vibrations