Geometry & MOs

Info

ID:

17260

PubChem CID:

490590

Reduced:

N2O4C21H26 (1)

Stoich.:

A2B4C21D26 (1)

Weight, g/mol:

370.189257

ΔHf, kcal/mol:

-154.17

Dipole, Da:

1.8

IP(EA), eV:

 -9.69(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (3aS,6S,6aR)-4-[(2S,3R)-2,3-dimethylcyclopropanecarbonyl]-6-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](C1C(=O)N2[C@H]3CCN([C@@H]3[C@@H](C2=O)C)C(=O)OCC4=CC=CC=C4)C

DOS

IR

Vibrations