Geometry & MOs

Info

ID:

230557

PubChem CID:

87571354

Reduced:

FN2O9C25H33 (1)

Stoich.:

AB2C9D25E33 (1)

Weight, g/mol:

526.157218

ΔHf, kcal/mol:

-386.21

Dipole, Da:

7.41

IP(EA), eV:

 -9.13(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,6-dichloro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CCOC(=O)C([C@@H]1[C@H]([C@@H]([C@H]([C@](O1)(O)OC2=NN(C(=C2CC3=CC(=C(C=C3)C)F)C)CC4CC4)O)O)O)O

DOS

IR

Vibrations