Geometry & MOs

Info

ID:

45293

PubChem CID:

10510741

Reduced:

N15O24C75H121 (1)

Stoich.:

A15B24C75D121 (1)

Weight, g/mol:

2094.60858

ΔHf, kcal/mol:

-1175.63

Dipole, Da:

4.67

IP(EA), eV:

 -9.12(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-1-[2-cyanoethoxy-[(1S,2S,3R,4S,5S,6S)-3,4,5-tris[bis(2-cyanoethoxy)phosphoryloxy]-2-[2,7-dibromo-9-[3-(trifluoromethyl)phenyl]xanthen-9-yl]oxy-6-(4-methoxyoxan-4-yl)oxycyclohexyl]oxyphosphoryl]oxy-3-octadecanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N3CC[C@@H]([C@H]3C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CCC(=O)N4CCNCC4)[C@@H](C)O)[C@@H](CC(=O)N)O)O)[C@@H](C)O)[C@@H](C)O)O)C(C)C)CC5=CC=C(C=C5)O)C)[C@@H](C)O

DOS

IR

Vibrations