Geometry & MOs

Info

ID:

390088

PubChem CID:

134997006

Reduced:

FN2S2O23C50H61 (1)

Stoich.:

AB2C2D23E50F61 (1)

Weight, g/mol:

915.328847

ΔHf, kcal/mol:

-1034.2

Dipole, Da:

4.29

IP(EA), eV:

 -9.02(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[7-(1,3-dioxoisoindol-2-yl)-6-ethylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)O[C@H](COC(=O)C)[C@H](C2C(C(C(C(O2)(C(=O)OC)F)SC3=CC=CC=C3)OC(=O)C)NC(=O)C)OC(=O)C)SC4=CC=CC=C4)OC(=O)C

DOS

IR

Vibrations