Geometry & MOs

Info

ID:	189367
PubChem CID:	77845199
Reduced:	N2O6C35H46 (1)
Stoich.:	A2B6C35D46 (1)
Weight, g/mol:	502.076354
ΔH_f, kcal/mol:	-222.51
Dipole, Da:	4.0
IP(EA), eV:	-9.22(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(4-fluoro-2-methylphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)NCCCCCNC(=O)COC2=C(C(=C(C=C2)C(=O)C(=C)CC)C)C)C)C

DOS

IR

Vibrations