Geometry & MOs

Info

ID:

405435

PubChem CID:

135073928

Reduced:

BrS2N4O10C36H37 (1)

Stoich.:

AB2C4D10E36F37 (1)

Weight, g/mol:

876.448644

ΔHf, kcal/mol:

-179.78

Dipole, Da:

6.71

IP(EA), eV:

 -9.87(-1.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-9-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-7-(4-methylphenyl)sulfinylnonane-3,6-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H](CN(CC#CCN(CC#CCOC(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C=C

DOS

IR

Vibrations