Geometry & MOs

Info

ID:

17148

PubChem CID:

486011

Reduced:

N2O4C39H42 (1)

Stoich.:

A2B4C39D42 (1)

Weight, g/mol:

602.314458

ΔHf, kcal/mol:

-116.44

Dipole, Da:

6.55

IP(EA), eV:

 -9.28(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4S)-2-benzyl-5-[(3S,5R)-3,5-dibenzyl-2-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide

Drug info:

PubChemData

Smile

C1[C@@H](C(=O)N([C@H]1CC2=CC=CC=C2)C[C@H](C[C@H](CC3=CC=CC=C3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O)CC6=CC=CC=C6

DOS

IR

Vibrations