Geometry & MOs

Info

ID:	434829
PubChem CID:	135175800
Reduced:	N3O4F5H22C25 (1)
Stoich.:	A3B4C5D22E25 (1)
Weight, g/mol:	475.151904
ΔH_f, kcal/mol:	-313.94
Dipole, Da:	5.34
IP(EA), eV:	-8.68(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1CN=C/C(=C\N)/C2=C(C=C(C=C2F)NC(=O)C3(CC3)C4=C(C=C(C=C4)OC(F)(F)F)F)C(=O)O

DOS

IR

Vibrations