Geometry & MOs

Info

ID:

304839

PubChem CID:

124766226

Reduced:

FSN2O4C22H23 (1)

Stoich.:

ABC2D4E22F23 (1)

Weight, g/mol:

430.136257

ΔHf, kcal/mol:

-173.72

Dipole, Da:

7.22

IP(EA), eV:

 -9.12(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1S,3S,3aR,6aR)-5-(4-fluorophenyl)-4,6-dioxo-3-propyl-1-thiophen-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCC[C@]1([C@H]2[C@@H]([C@H](N1)C3=CC=CS3)C(=O)N(C2=O)C4=CC=C(C=C4)F)C(=O)OCC

DOS

IR

Vibrations