Geometry & MOs

Info

ID:

145194

PubChem CID:

53476793

Reduced:

SO3N4F6C40H44 (1)

Stoich.:

AB3C4D6E40F44 (1)

Weight, g/mol:

678.285147

ΔHf, kcal/mol:

-364.44

Dipole, Da:

9.39

IP(EA), eV:

 -8.43(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-methylsulfonyl-N-[(1S)-1-phenylethyl]-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCC1N2CCCCC2)CC3=C(C4=C(C=CC(=C4)S(=O)(=O)C(C)C)N=C3C5=CC(=CC=C5)C(F)(F)F)C(=O)N[C@H](C6=CC=CC=C6)C(F)(F)F

DOS

IR

Vibrations