Geometry & MOs

Info

ID:

102335

PubChem CID:

50066365

Reduced:

FSO3N6C27H31 (1)

Stoich.:

ABC3D6E27F31 (1)

Weight, g/mol:

590.170781

ΔHf, kcal/mol:

-108.24

Dipole, Da:

8.21

IP(EA), eV:

 -8.98(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(trifluoromethyl)phenyl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=NN=C(S4)C(C)C

DOS

IR

Vibrations