Geometry & MOs

Info

ID:

376217

PubChem CID:

134222227

Reduced:

N2O2Cl3F9H20C24 (1)

Stoich.:

A2B2C3D9E20F24 (1)

Weight, g/mol:

520.135225

ΔHf, kcal/mol:

-550.07

Dipole, Da:

5.67

IP(EA), eV:

 -9.91(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[2-chloro-4-[(E)-4,4,4-trifluoro-3-(3,4,5-trimethylphenyl)but-1-enyl]phenyl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=C(C=C(C=C1)/C=C/C(C2=CC(=C(C(=C2)Cl)Cl)Cl)C(F)(F)F)C(F)(F)F)NC(C(F)(F)F)O

DOS

IR

Vibrations