Geometry & MOs

Info

ID:	318278
PubChem CID:	126650242
Reduced:	SF3O3N6H17C22 (1)
Stoich.:	AB3C3D6E17F22 (1)
Weight, g/mol:	336.12407
ΔH_f, kcal/mol:	-123.93
Dipole, Da:	4.38
IP(EA), eV:	-9.43(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

C1COC2=C([C@@H]1C3=C(C=C(C=C3)C(F)(F)F)N4C=CN=N4)C=CC(=C2)S(=O)(=O)NC5=NC=CC=N5

DOS

IR

Vibrations