Geometry & MOs

Info

ID:

133700

PubChem CID:

51576547

Reduced:

NO2H9C10 (2)

Stoich.:

AB2C9D10 (2)

Weight, g/mol:

496.085971

ΔHf, kcal/mol:

-49.47

Dipole, Da:

7.67

IP(EA), eV:

 -9.72(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[(3R,3aS,6aS)-2-(4-chlorophenyl)-4,6-dioxo-3-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5-dimethylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H]2[C@@H](C[C@@H]1C3=CC=CC=C3)C(=O)N(C2=O)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations