Geometry & MOs

Info

ID:

214881

PubChem CID:

85083791

Reduced:

PO9C35H37 (1)

Stoich.:

AB9C35D37 (1)

Weight, g/mol:

632.182852

ΔHf, kcal/mol:

-353.05

Dipole, Da:

3.09

IP(EA), eV:

 -8.92(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-(3-cyano-4-naphthalen-1-yl-2-sulfanylidene-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1(OC2C(C(OC2O1)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)OP(=O)(OC)OC6=CC=CC=C6)C

DOS

IR

Vibrations