Geometry & MOs

Info

ID:	434795
PubChem CID:	135175716
Reduced:	N3O3F4H23C25 (1)
Stoich.:	A3B3C4D23E25 (1)
Weight, g/mol:	491.146819
ΔH_f, kcal/mol:	-242.64
Dipole, Da:	5.36
IP(EA), eV:	-8.73(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-ethylpyrazol-4-yl)-5-[[1-[2-fluoro-4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(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)OC

DOS

IR

Vibrations