Geometry & MOs

Info

ID:

425370

PubChem CID:

135126077

Reduced:

N3O4C25H27 (1)

Stoich.:

A3B4C25D27 (1)

Weight, g/mol:

934.477518

ΔHf, kcal/mol:

-86.84

Dipole, Da:

2.71

IP(EA), eV:

 -9.02(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(5S)-6-[(2S)-2-[[(6S)-6-benzyl-2,3-dioxopiperazin-1-yl]methyl]pyrrolidin-1-yl]-5-[(5S)-5-[(4-hydroxyphenyl)methyl]-2,3-dioxo-4-(2-phenylethyl)piperazin-1-yl]hexyl]pentanamide

Drug info:

PubChemData

Smile

CCONC(=O)N1CCC2(CC1)OCC3=C(O2)C=CC(=C3)C4=CC5=C(C=C4)C(=NC=C5)C

DOS

IR

Vibrations