Geometry & MOs

Info

ID:	297880
PubChem CID:	117636343
Reduced:	F3N4O4H15C19 (1)
Stoich.:	A3B4C4D15E19 (1)
Weight, g/mol:	376.134445
ΔH_f, kcal/mol:	-232.67
Dipole, Da:	1.63
IP(EA), eV:	-9.57(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-(2,4-dihydroxyphenyl)sulfanyl-5-hydroxyphenyl]octanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NN(C2=O)NC(=O)CC3=CC=C(C=C3)C(F)(F)F)CNC(=O)O

DOS

IR

Vibrations