Geometry & MOs

Info

ID:

116102

PubChem CID:

50546816

Reduced:

ClF2O5N6C35H37 (1)

Stoich.:

AB2C5D6E35F37 (1)

Weight, g/mol:

706.360946

ΔHf, kcal/mol:

-258.01

Dipole, Da:

5.1

IP(EA), eV:

 -9.13(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCC4)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations