Geometry & MOs

Info

ID:

441035

PubChem CID:

135232779

Reduced:

N4C11H12 (1)

Stoich.:

A4B11C12 (1)

Weight, g/mol:

834.159924

ΔHf, kcal/mol:

66.28

Dipole, Da:

0.74

IP(EA), eV:

-9.27(-0.75)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-formyl-5-[1,1,1,3,3,3-hexafluoro-2-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CCC1=CN=C(C=C1)C2=NC=CC(=N2)N

DOS

IR

Vibrations