Geometry & MOs

Info

ID:

381027

PubChem CID:

134971652

Reduced:

SN2F3O5H10C11 (1)

Stoich.:

AB2C3D5E10F11 (1)

Weight, g/mol:

329.132374

ΔHf, kcal/mol:

-254.04

Dipole, Da:

9.08

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.771891

Charge, e:

 1

Chem-info

IUPAC name:

1-benzylsulfanylpropylidene-ethyl-(4-nitrophenyl)azanium

Drug info:

PubChemData

Smile

C1CC(=[N+](C1)C2=CC=C(C=C2)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations