Geometry & MOs

Info

ID:	232347
PubChem CID:	87576041
Reduced:	SN2O5F6C24H30 (1)
Stoich.:	AB2C5D6E24F30 (1)
Weight, g/mol:	171.933653
ΔH_f, kcal/mol:	-526.88
Dipole, Da:	10.84
IP(EA), eV:	-9.35(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CCC(C1)O[C@H]2C[C@H](C[C@@H]2C(=O)O)S(=O)(=O)C3=C(C=C(C=C3)N4CCN(CC4)CC(F)(F)F)C(F)(F)F

DOS

IR

Vibrations