Geometry & MOs

Info

ID:	434720
PubChem CID:	135175582
Reduced:	ClSF2N3O4C36H36 (1)
Stoich.:	ABC2D3E4F36G36 (1)
Weight, g/mol:	248.176287
ΔH_f, kcal/mol:	-189.46
Dipole, Da:	5.39
IP(EA), eV:	-9.23(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-1,2-oxazol-2-ium

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)N[C@@H](C(=O)N4C5CCC4C(C5)N)C(C6=CC=C(C=C6)C7=CC=C(C=C7)Cl)(F)F

DOS

IR

Vibrations