Geometry & MOs

Info

ID:

176334

PubChem CID:

76035074

Reduced:

SN3O4C31H45 (1)

Stoich.:

AB3C4D31E45 (1)

Weight, g/mol:

761.316445

ΔHf, kcal/mol:

-164.36

Dipole, Da:

4.22

IP(EA), eV:

 -8.82(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(2-methoxypyridin-3-yl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoro-1-phenylethyl)quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC12CCN(CC2)CCC(C)(CN(C)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations