Geometry & MOs

Info

ID:

17238

PubChem CID:

489739

Reduced:

SN2O3C17H17 (2)

Stoich.:

AB2C3D17E17 (2)

Weight, g/mol:

658.191977

ΔHf, kcal/mol:

-165.59

Dipole, Da:

8.21

IP(EA), eV:

 -8.77(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,5-bis(pyridin-2-ylsulfanyl)hexanediamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](C2=CC=CC=C21)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)SC5=CC=CC=N5)O)O)SC6=CC=CC=N6)O

DOS

IR

Vibrations