Geometry & MOs

Info

ID:

304795

PubChem CID:

124766181

Reduced:

FN2O4H21C22 (1)

Stoich.:

AB2C4D21E22 (1)

Weight, g/mol:

396.148535

ΔHf, kcal/mol:

-169.41

Dipole, Da:

2.22

IP(EA), eV:

 -9.32(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4F)[C@](N2)(C)C(=O)OC

DOS

IR

Vibrations