Geometry & MOs

Info

ID:	209940
PubChem CID:	80741783
Reduced:	ClN2S2O4C11H17 (1)
Stoich.:	AB2C2D4E11F17 (1)
Weight, g/mol:	337.99539
ΔH_f, kcal/mol:	-78.99
Dipole, Da:	2.45
IP(EA), eV:	-10.25(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]acetic acid

Drug info:

PubChemData

Smile

CCC(CC)C(C)NS(=O)(=O)C1=CC(=C(S1)Cl)[N+](=O)[O-]

DOS

IR

Vibrations