Geometry & MOs

Info

ID:

313748

PubChem CID:

126617403

Reduced:

FSO2N6H27C29 (1)

Stoich.:

ABC2D6E27F29 (1)

Weight, g/mol:

587.243851

ΔHf, kcal/mol:

13.46

Dipole, Da:

8.22

IP(EA), eV:

 -8.85(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2S)-2-[4-(4-chlorophenyl)-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2,6-dimethylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

C1CN(CCC1NC2=NC(=CS2)C3=NC=CC4=C3NC(=NC4=O)COC5=CC=C(C=C5)F)CC6=CC=CC=C6

DOS

IR

Vibrations