Geometry & MOs

Info

ID:	230573
PubChem CID:	87571415
Reduced:	PSF3O3C26H54 (1)
Stoich.:	ABC3D3E26F54 (1)
Weight, g/mol:	267.147058
ΔH_f, kcal/mol:	-372.71
Dipole, Da:	22.95
IP(EA), eV:	-9.53(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4,5-dimethyl-1-oxido-3-oxo-1,2-dihydropyrrol-1-ium-2-yl)methyl]-2,2-dimethylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCC(CCCCCCCC)(CCCCCCCC)[PH3+].C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations