Geometry & MOs

Info

ID:

446397

PubChem CID:

135274667

Reduced:

F8N8S8O33C58H94 (1)

Stoich.:

A8B8C8D33E58F94 (1)

Weight, g/mol:

1840.371772

ΔHf, kcal/mol:

-989.85

Dipole, Da:

6.62

IP(EA), eV:

 -9.04(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[2,3-bis[[3-(1-fluoroperoxyethylcarbamothioyloxy)-2-(1-fluoroperoxyethylcarbamothioyloxymethyl)-2-methylpropanoyl]oxy]propoxy]-3-[3-[2-(2-fluorooxyethoxy)ethylcarbamothioyloxy]-2-[2-(2-fluorooxyethoxy)ethylcarbamothioyloxymethyl]-2-methylpropanoyl]oxypropan-2-yl] 2-[[[2-(2-fluorooxyethoxy)ethylamino]-sulfanylmethoxy]methyl]-3-[2-(2-fluorooxyethoxy)ethylcarbamothioyloxy]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC(NC(=S)OCC(C)(COC(=S)NC(C)OOF)C(=O)OCC(COCC(COC(=O)C(C)(COC(=S)NCCOCCOF)COC(=S)NCCOCCOF)OC(=O)C(C)(COC(=S)NCCOCCOF)COC(=S)NCCOCCOF)OC(=O)C(C)(COC(=S)NC(C)OOF)COC(=S)NC(C)OOF)OOF

DOS

IR

Vibrations