Geometry & MOs

Info

ID:

308380

PubChem CID:

125326726

Reduced:

O3N4C28H34 (1)

Stoich.:

A3B4C28D34 (1)

Weight, g/mol:

647.229485

ΔHf, kcal/mol:

-9.66

Dipole, Da:

3.03

IP(EA), eV:

 -8.7(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-1-[6-[6-[5-[(3aR,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCOC1=CC=C(C=C1)/C=N\N2CN=C3C4=C(C=CC(=C4)OC)N=C3C2=O

DOS

IR

Vibrations