Geometry & MOs

Info

ID:

109613

PubChem CID:

50291500

Reduced:

FO4N5C31H34 (1)

Stoich.:

AB4C5D31E34 (1)

Weight, g/mol:

613.306433

ΔHf, kcal/mol:

-159.33

Dipole, Da:

10.66

IP(EA), eV:

 -9.02(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-(3-methylpiperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)N(C)C

DOS

IR

Vibrations