Geometry & MOs

Info

ID:

222650

PubChem CID:

85307665

Reduced:

N8O11C50H64 (1)

Stoich.:

A8B11C50D64 (1)

Weight, g/mol:

958.65718

ΔHf, kcal/mol:

-442.72

Dipole, Da:

10.17

IP(EA), eV:

 -9.14(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[tert-butyl(dimethyl)silyl]oxy-10-[6-[5-[1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxan-2-yl]-10-hydroxydec-8-enyl]-5-methyl-3-phenylsulfanyloxolan-2-one

Drug info:

PubChemData

Smile

CCCCC(C(=O)CCC(=O)NC(C)C(=O)NC(C)C(=O)N)NC(=O)C1CC2C3=CC=CC(=C3NC2=O)C4=C(C=CC(=C4)CC(C(=O)NC(C(=O)N1)CC(C)C)NC(=O)OCC5=CC=CC=C5)OC

DOS

IR

Vibrations