Geometry & MOs

Info

ID:

392840

PubChem CID:

135018153

Reduced:

SN2O13C69H70 (1)

Stoich.:

AB2C13D69E70 (1)

Weight, g/mol:

338.13068

ΔHf, kcal/mol:

-230.64

Dipole, Da:

4.62

IP(EA), eV:

 -9.05(-1.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-2-[4-[(E)-3-oxo-1-phenylprop-1-en-2-yl]phenyl]-3-phenylprop-2-enal

Drug info:

PubChemData

Smile

CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CN([C@@H]2C=C([C@H]([C@@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)COCC6=CC=CC=C6)S(=O)(=O)C7=CC=C(C=C7)[N+](=O)[O-])OCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1

DOS

IR

Vibrations