Geometry & MOs

Info

ID:

304942

PubChem CID:

124766340

Reduced:

FN2O5C26H27 (1)

Stoich.:

AB2C5D26E27 (1)

Weight, g/mol:

434.205301

ΔHf, kcal/mol:

-199.79

Dipole, Da:

8.06

IP(EA), eV:

 -9.37(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,3S,3aR,6aS)-5-ethyl-4,6-dioxo-3-propyl-1-(3,4,5-trimethoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCCC[C@]1([C@H]2[C@H]([C@H](N1)C3=CC(=CC=C3)F)C(=O)N(C2=O)C4=CC=CC(=C4)C(=O)C)C(=O)OC

DOS

IR

Vibrations