Geometry & MOs

Info

ID:

219814

PubChem CID:

85164923

Reduced:

SSeN2O7H26C27 (1)

Stoich.:

ABC2D7E26F27 (1)

Weight, g/mol:

601.237055

ΔHf, kcal/mol:

-205.16

Dipole, Da:

7.7

IP(EA), eV:

 -8.71(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-(5-acetamido-6-hydroxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-yl)oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N2C3C(CC(N3C(=O)OC)C(=O)OC)(C4=CC=CC=C42)[Se]C5=CC=CC=C5

DOS

IR

Vibrations