Geometry & MOs

Info

ID:	398165
PubChem CID:	135032081
Reduced:	SN2F3O6H17C18 (1)
Stoich.:	AB2C3D6E17F18 (1)
Weight, g/mol:	309.181432
ΔH_f, kcal/mol:	-246.06
Dipole, Da:	12.18
IP(EA), eV:	-9.79(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[5-(9-bicyclo[6.1.0]non-4-ynyloxycarbonylamino)-1-carboxypentyl]azanium

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C(=NOS(=O)(=O)C2=CC=C(C=C2)C)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations