Geometry & MOs

Info

ID:

305235

PubChem CID:

124767733

Reduced:

O3C15H25 (2)

Stoich.:

A3B15C25 (2)

Weight, g/mol:

512.176979

ΔHf, kcal/mol:

-358.64

Dipole, Da:

4.79

IP(EA), eV:

 -10.21(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[4-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]sulfanyl-N-(2-ethoxyphenyl)-2-phenylacetamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]([C@@H](C1)OC(=O)[C@H](C(C)[C@H](C(=O)C)C(=O)O[C@@H]2C[C@H](CC[C@H]2C(C)C)C)C(=O)C)C(C)C

DOS

IR

Vibrations