Geometry & MOs

Info

ID:

140528

PubChem CID:

52715484

Reduced:

NO5C28H35 (1)

Stoich.:

AB5C28D35 (1)

Weight, g/mol:

465.251523

ΔHf, kcal/mol:

-231.3

Dipole, Da:

5.84

IP(EA), eV:

 -9.37(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] (2S,4S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)[C@@H]3C[C@@H](CN3C(=O)C45CC6CC(C4)CC(C6)C5)O

DOS

IR

Vibrations