Geometry & MOs

Info

ID:

230039

PubChem CID:

87569916

Reduced:

ClN3O4C34H34 (1)

Stoich.:

AB3C4D34E34 (1)

Weight, g/mol:

512.182432

ΔHf, kcal/mol:

-52.01

Dipole, Da:

5.29

IP(EA), eV:

 -8.91(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-N-[(3R)-3-[4-[(3,3-difluoro-2-oxo-1-thiophen-3-ylpropyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H](O1)C(=CC2[C@@H](CNC3=NC=CN=C3Cl)O)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C

DOS

IR

Vibrations