Geometry & MOs

Info

ID:

390147

PubChem CID:

134997375

Reduced:

S2N3O31H91C108 (1)

Stoich.:

A2B3C31D91E108 (1)

Weight, g/mol:

1343.357552

ΔHf, kcal/mol:

-924.32

Dipole, Da:

5.58

IP(EA), eV:

 -8.58(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-[(4-pyridin-2-yl-1,3-thiazol-2-yl)sulfanyl]oxan-3-yl]oxy-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC(=O)OC1C(C(OC(C1OC2C(C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)COC7C(C(C(C(O7)COC(=O)C8=CC=CC=C8)OC9C(C1C(C(O9)COC(=O)C2=CC=CC=C2)OC(O1)(C)C)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)SC1=NC(=CS1)C1=CC=CC=N1)N1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations