Geometry & MOs

Info

ID:

304728

PubChem CID:

124766101

Reduced:

F2N2O5H22C27 (1)

Stoich.:

A2B2C5D22E27 (1)

Weight, g/mol:

492.149678

ΔHf, kcal/mol:

-225.66

Dipole, Da:

1.63

IP(EA), eV:

 -8.98(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,3R,3aR,6aR)-5-(2-fluorophenyl)-1-(3-fluorophenyl)-3-[(4-hydroxyphenyl)methyl]-4,6-dioxo-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