Geometry & MOs

Info

ID:	231239
PubChem CID:	87573116
Reduced:	CPF2O2H7 (1)
Stoich.:	ABC2D2E7 (1)
Weight, g/mol:	647.094961
ΔH_f, kcal/mol:	-255.29
Dipole, Da:	3.72
IP(EA), eV:	-9.72(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(trifluoromethyl)-1-[6-[2-[[4-[4-(trifluoromethylsulfonyl)phenyl]phenyl]methoxy]phenyl]pyridin-2-yl]pyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CP(O)O.F.F

DOS

IR

Vibrations