Geometry & MOs

Info

ID:

313046

PubChem CID:

126610917

Reduced:

FON2C8H9 (3)

Stoich.:

ABC2D8E9 (3)

Weight, g/mol:

624.156637

ΔHf, kcal/mol:

-166.09

Dipole, Da:

1.54

IP(EA), eV:

 -9.24(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

oxiran-2-ylmethyl 4-[[4-[4-[[4-(oxiran-2-ylmethoxycarbonyl)phenyl]methylideneamino]phenyl]sulfonylphenyl]iminomethyl]benzoate

Drug info:

PubChemData

Smile

CN1C2C=CC(=CC2C=C1C(=O)N3C[C@@H]4CN(C[C@H]4C3)C(=O)[C@@H]5CCC6=NNN=C6C5)OC(F)(F)F

DOS

IR

Vibrations