Geometry & MOs

Info

ID:	294381
PubChem CID:	117455184
Reduced:	FNO5C13H14 (1)
Stoich.:	ABC5D13E14 (1)
Weight, g/mol:	283.105587
ΔH_f, kcal/mol:	-176.65
Dipole, Da:	6.89
IP(EA), eV:	-10.43(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC(=C(C=C2O)F)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations