Geometry & MOs

Info

ID:

229088

PubChem CID:

87566925

Reduced:

SN3F6O6H16C23 (1)

Stoich.:

AB3C6D6E16F23 (1)

Weight, g/mol:

658.116682

ΔHf, kcal/mol:

-433.85

Dipole, Da:

7.43

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.919217

Charge, e:

 -4

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N(C(=O)[N+]1(CC2=CC=NC3=CC=CC=C23)OC(=O)C(F)(F)F)C4=CC=C(C=C4)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations