Geometry & MOs

Info

ID:

230168

PubChem CID:

87570346

Reduced:

O2N4F7H27C31 (1)

Stoich.:

A2B4C7D27E31 (1)

Weight, g/mol:

522.137151

ΔHf, kcal/mol:

-326.59

Dipole, Da:

3.17

IP(EA), eV:

 -9.64(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N[C@@H](CC1=C(C=C(C=C1F)C#N)F)C#N)N[C@@H](C2=CC=C(C=C2)C3=CC=C(C=C3)[C@H](C(F)F)O)C(F)(F)F

DOS

IR

Vibrations