Geometry & MOs

Info

ID:

304729

PubChem CID:

124766102

Reduced:

F2N2O5H22C27 (1)

Stoich.:

A2B2C5D22E27 (1)

Weight, g/mol:

440.173607

ΔHf, kcal/mol:

-203.2

Dipole, Da:

2.12

IP(EA), eV:

 -8.92(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)[C@]1([C@H]2[C@H]([C@H](N1)C3=CC(=CC=C3)F)C(=O)N(C2=O)C4=CC=CC=C4F)CC5=CC=C(C=C5)O

DOS

IR

Vibrations