Geometry & MOs

Info

ID:

398808

PubChem CID:

135035523

Reduced:

N3O3H27C28 (1)

Stoich.:

A3B3C27D28 (1)

Weight, g/mol:

274.120509

ΔHf, kcal/mol:

-44.58

Dipole, Da:

5.65

IP(EA), eV:

 -9.8(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2Z)-2-[(1aR,1bS,2R,6aS)-2-hydroxy-1b-methyl-6-methylidene-3-oxo-1,1a,2,6a-tetrahydrocyclopropa[a]inden-4-ylidene]propanoate

Drug info:

PubChemData

Smile

C1C[C@H](C(=C[C@H]1NC(=O)C2=CC=CC=C2)CNC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations