Geometry & MOs

Info

ID:

383535

PubChem CID:

134975316

Reduced:

SN2O3H28C31 (1)

Stoich.:

AB2C3D28E31 (1)

Weight, g/mol:

1054.25659

ΔHf, kcal/mol:

-11.63

Dipole, Da:

8.69

IP(EA), eV:

 -9.38(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

4-benzhydrylidene-7-methoxy-5-methoxycarbonyl-2,2-dimethyl-7-oxohept-5-ene-3-thiolate;palladium(2+);triphenylphosphanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]2[C@H](N=C(N2S(=O)(=O)C3=CC=C(C=C3)C)CC4=CC=CC=C4)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations