Geometry & MOs

Info

ID:	321353
PubChem CID:	126665852
Reduced:	O2F4N4H10C19 (1)
Stoich.:	A2B4C4D10E19 (1)
Weight, g/mol:	528.142068
ΔH_f, kcal/mol:	-137.08
Dipole, Da:	2.67
IP(EA), eV:	-9.65(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[5-[fluoro-[3-[hydroxy(phenyl)methyl]phenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylcarbamic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)F)C=O)C#N

DOS

IR

Vibrations