Geometry & MOs

Info

ID:

143615

PubChem CID:

53235541

Reduced:

SN6O6F7C27H29 (1)

Stoich.:

AB6C6D7E27F29 (1)

Weight, g/mol:

549.265924

ΔHf, kcal/mol:

-376.16

Dipole, Da:

4.38

IP(EA), eV:

 -10.01(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,5S)-N-[(4S,5S)-1,3-dimethyl-4,5-diphenyl-4,5-dihydroimidazol-1-ium-2-yl]-1,3-dimethyl-4,5-diphenylimidazolidin-2-imine;chloride

Drug info:

PubChemData

Smile

CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-].CC(C)N(C1=CC=C(C=C1)F)C(=O)COC2=NN=C(S2)C(F)(F)F

DOS

IR

Vibrations