Geometry & MOs

Info

ID:

304736

PubChem CID:

124766112

Reduced:

FSN3O4C25H28 (1)

Stoich.:

ABC3D4E25F28 (1)

Weight, g/mol:

480.189651

ΔHf, kcal/mol:

-163.28

Dipole, Da:

5.0

IP(EA), eV:

 -8.28(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1S,3S,3aR,6aS)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-hydroxyphenyl)-4,6-dioxo-3-propyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)F)[C@](N2)(CCSC)C(=O)OC

DOS

IR

Vibrations