Geometry & MOs

Info

ID:

163311

PubChem CID:

57730340

Reduced:

FNO3C19H28 (1)

Stoich.:

ABC3D19E28 (1)

Weight, g/mol:

4803.554554

ΔHf, kcal/mol:

-174.13

Dipole, Da:

2.26

IP(EA), eV:

-8.1(0.26)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[[4-[[[(E)-[4-[[4-[4-[2-[[(E)-3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-2-cyanoprop-2-enoyl]amino]ethyl]phenoxy]-2,4,6,6-tetrakis[4-[(E)-[bis[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-2,4,6-trien-2-yl]oxy]phenyl]methylideneamino]-methylamino]-[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl]oxyphenyl]methyl-(phosphonomethyl)amino]methylphosphonic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=C2CCN3C[C@H]([C@@H](C[C@@H]3C2=C1)O)CCC[19F])OC

DOS

IR

Vibrations