Geometry & MOs

Info

ID:

436627

PubChem CID:

135206283

Reduced:

F2N2O5C34H42 (1)

Stoich.:

A2B2C5D34E42 (1)

Weight, g/mol:

523.377392

ΔHf, kcal/mol:

-281.95

Dipole, Da:

7.01

IP(EA), eV:

 -8.58(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(3-methylbutyl)pyridin-3-yl]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)CO)C2=CC(=C(C=C2)OCCC3=CC=C(C=C3)F)F)N4CCC(CC4)(C)C)[C@@H](C(=O)O)OC(C)(C)C

DOS

IR

Vibrations