Geometry & MOs

Info

ID:

436655

PubChem CID:

135206639

Reduced:

ClO3N4C46H59 (1)

Stoich.:

AB3C4D46E59 (1)

Weight, g/mol:

497.325357

ΔHf, kcal/mol:

-106.12

Dipole, Da:

7.31

IP(EA), eV:

 -8.81(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-methyl-6-(2-methylpropoxy)pyridin-3-yl]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)CN2CCC3=C(C2)C=CC(=C3)C4=C(C(=C(N=C4CNCCCC5=CC=CC=C5)C)C(C(=O)O)OC(C)(C)C)N6CCC(CC6)(C)C

DOS

IR

Vibrations