Geometry & MOs

Info

ID:

376216

PubChem CID:

134222226

Reduced:

NO2Cl4C23H23 (1)

Stoich.:

AB2C4D23E23 (1)

Weight, g/mol:

644.044664

ΔHf, kcal/mol:

-69.2

Dipole, Da:

3.18

IP(EA), eV:

 -8.88(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methyl-2-[(2,2,2-trifluoro-1-hydroxyethyl)amino]propyl]-2-(trifluoromethyl)-4-[(E)-4,4,4-trifluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide

Drug info:

PubChemData

Smile

CC/C=C(/C(=O)OC)\NCC1=C(C=C(C=C1)/C=C/C(C2=CC(=C(C(=C2)C)Cl)Cl)Cl)Cl

DOS

IR

Vibrations