Geometry & MOs

Info

ID:

304914

PubChem CID:

124766308

Reduced:

N2O5C17H20 (1)

Stoich.:

A2B5C17D20 (1)

Weight, g/mol:

398.1278

ΔHf, kcal/mol:

-175.79

Dipole, Da:

1.6

IP(EA), eV:

 -9.13(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,3R,3aR,6aR)-5-(2-fluorophenyl)-1-(4-hydroxyphenyl)-3-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]2[C@H]3[C@@H](C(=O)N(C3=O)C)[C@](N2)(CO)C(=O)OC

DOS

IR

Vibrations