Geometry & MOs

Info

ID:	405139
PubChem CID:	135072670
Reduced:	O8C17H24 (1)
Stoich.:	A8B17C24 (1)
Weight, g/mol:	282.082684
ΔH_f, kcal/mol:	-321.13
Dipole, Da:	1.08
IP(EA), eV:	-10.24(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfinyl)-1-benzylpyrazole

Drug info:

PubChemData

Smile

COC(=O)C(CCCC(CC=C=C)(C(=O)OC)C(=O)OC)C(=O)OC

DOS

IR

Vibrations