Geometry & MOs

Info

ID:

17262

PubChem CID:

490592

Reduced:

N2O4C23H30 (1)

Stoich.:

A2B4C23D30 (1)

Weight, g/mol:

398.220557

ΔHf, kcal/mol:

-171.42

Dipole, Da:

1.96

IP(EA), eV:

 -9.65(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2[C@H](CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)C(=O)C4C(C4(C)C)(C)C

DOS

IR

Vibrations