Geometry & MOs

Info

ID:

446401

PubChem CID:

135274704

Reduced:

S4F8N28O44C113H200 (1)

Stoich.:

A4B8C28D44E113F200 (1)

Weight, g/mol:

2308.847672

ΔHf, kcal/mol:

-1827.1

Dipole, Da:

23.23

IP(EA), eV:

 -8.85(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[bis[2-[2,6-bis[(1-fluoroperoxytriazol-4-yl)methoxycarbonylamino]hexanoyloxy]propyl]amino]ethyl-[2-[2,6-bis[[1-[2-(fluoromethoxy)ethyl]triazol-4-yl]methoxycarbonylamino]hexanoyloxy]propyl]amino]propan-2-yl 2,6-bis[[1-[2-(fluoromethoxy)ethyl]triazol-4-yl]methoxycarbonylamino]hexanoate

Drug info:

PubChemData

Smile

C(CCCNC(=O)OCCN(CCOC(=O)NCCCCCCNC(=O)NCCOF)CC(=O)SCCC(=O)OCC(COC(=O)CCSC(=O)CN(CCOC(=O)NCCCCCCNC(=O)NCCOF)CCOC(=O)NCCCCCCNC(=O)NCCOF)(COC(=O)CCSC(=O)CN(CCOC(=O)NCCCCCCNC(=O)NOF)CCOC(=O)NCCCCCCNC(=O)NOF)COC(=O)CCSC(=O)CN(CCOC(=O)NCCCCCCNC(=O)NOF)CCOC(=O)NCCCCCCNC(=O)NOF)CCNC(=O)NCCOF

DOS

IR

Vibrations