Geometry & MOs

Info

ID:	426582
PubChem CID:	135150720
Reduced:	N3O3F4H23C26 (1)
Stoich.:	A3B3C4D23E26 (1)
Weight, g/mol:	505.142482
ΔH_f, kcal/mol:	-241.58
Dipole, Da:	6.62
IP(EA), eV:	-8.84(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclobutylpyrazol-4-yl)-3-fluoro-5-[[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)N2C=C(C=N2)C3=C(C=C(C=C3)NC(=O)C4(CC4)C5=C(C=C(C=C5)C(F)(F)F)F)C(=O)O

DOS

IR

Vibrations