Geometry & MOs

Info

ID:

116351

PubChem CID:

50557482

Reduced:

ClFN6O6C36H42 (1)

Stoich.:

ABC6D6E36F42 (1)

Weight, g/mol:

595.292532

ΔHf, kcal/mol:

-268.14

Dipole, Da:

8.06

IP(EA), eV:

 -8.73(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[2-methyl-6-(3-methylpiperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)OC)F)Cl

DOS

IR

Vibrations