Geometry & MOs

Info

ID:

102336

PubChem CID:

50066366

Reduced:

ClO3F4N4H27C29 (1)

Stoich.:

AB3C4D4E27F29 (1)

Weight, g/mol:

559.259483

ΔHf, kcal/mol:

-287.08

Dipole, Da:

10.09

IP(EA), eV:

 -8.93(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-methyl-4-(methylcarbamoyl)phenyl]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=C(C=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations