Geometry & MOs

Info

ID:

406596

PubChem CID:

135078118

Reduced:

N2O2C41H66 (1)

Stoich.:

A2B2C41D66 (1)

Weight, g/mol:

1241.206112

ΔHf, kcal/mol:

-138.23

Dipole, Da:

5.38

IP(EA), eV:

 -7.98(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-acetyloxy-3,5-bis[[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy]-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCC(C)(CC)C1=CC(=CC(=C1O)CN(C)[C@@H]2CCCC[C@H]2N/C=C\3/C=C(C=C(C3=O)C(C)(CC)CC)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations