Geometry & MOs

Info

ID:

298676

PubChem CID:

117653869

Reduced:

ClON5C18H20 (1)

Stoich.:

ABC5D18E20 (1)

Weight, g/mol:

738.436778

ΔHf, kcal/mol:

34.97

Dipole, Da:

3.74

IP(EA), eV:

 -8.86(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[3-[(3R)-3-[[(1S)-1-[2-[1-[3-(2-fluoroethoxy)phenyl]ethyl]pyridin-3-yl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCCC3)Cl)C4=CN=CC=C4

DOS

IR

Vibrations