Geometry & MOs

Info

ID:	227086
PubChem CID:	87560135
Reduced:	O7F12H26C30 (1)
Stoich.:	A7B12C26D30 (1)
Weight, g/mol:	402.074879
ΔH_f, kcal/mol:	-768.0
Dipole, Da:	4.43
IP(EA), eV:	-10.1(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-methoxy-2-(methylsulfonylmethyl)-3-phenyl-6-(trifluoromethyl)phenyl]acetic acid

Drug info:

PubChemData

Smile

COCC1=C(C(=C(C(=C1F)F)COC(CCO)(OCC2=C(C(=C(C(=C2F)F)COC)F)F)OCC3=C(C(=C(C(=C3F)F)COC)F)F)F)F

DOS

IR

Vibrations