Geometry & MOs

Info

ID:	426581
PubChem CID:	135150719
Reduced:	N3O3F4H23C25 (1)
Stoich.:	A3B3C4D23E25 (1)
Weight, g/mol:	501.167554
ΔH_f, kcal/mol:	-247.52
Dipole, Da:	6.61
IP(EA), eV:	-8.82(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)N1C=C(C=N1)C2=C(C=C(C=C2)NC(=O)C3(CC3)C4=C(C=C(C=C4)C(F)(F)F)F)C(=O)O

DOS

IR

Vibrations