Geometry & MOs

Info

ID:

375955

PubChem CID:

134221952

Reduced:

NP2O21C27H55 (1)

Stoich.:

AB2C21D27E55 (1)

Weight, g/mol:

551.108676

ΔHf, kcal/mol:

-1044.0

Dipole, Da:

5.08

IP(EA), eV:

 -9.54(0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-(trifluoromethyl)phenyl]methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

COC1C(C(OC1OCC(C(C(COP(O)OC2C(OC(C2OC)OCC(C(C(COP(O)OCCCCCN)O)O)O)CO)O)O)O)CO)O

DOS

IR

Vibrations