Geometry & MOs

Info

ID:	390593
PubChem CID:	134999868
Reduced:	SN2O5F6C14H14 (1)
Stoich.:	AB2C5D6E14F14 (1)
Weight, g/mol:	354.147593
ΔH_f, kcal/mol:	-401.82
Dipole, Da:	10.33
IP(EA), eV:	-10.48(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[(E)-2-phenylethenyl]sulfanylhexylsulfanyl]ethenylbenzene

Drug info:

PubChemData

Smile

C1CC[N+](=C(CC2=CC=CC=C2[N+](=O)[O-])C(F)(F)F)C1.C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations