Geometry & MOs

Info

ID:

385065

PubChem CID:

134978242

Reduced:

PSN3O8H42C44 (1)

Stoich.:

ABC3D8E42F44 (1)

Weight, g/mol:

480.119403

ΔHf, kcal/mol:

-238.68

Dipole, Da:

5.89

IP(EA), eV:

 -8.77(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-[(3-ethoxy-3-oxo-1-phenylpropyl)sulfanyl-methylphosphoryl]sulfanyl-3-phenylpropanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)O[P@](=O)(C)SC7=CC=CC=C7

DOS

IR

Vibrations