Geometry & MOs

Info

ID:

110402

PubChem CID:

50323217

Reduced:

F2O5N6C35H40 (1)

Stoich.:

A2B5C6D35E40 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-262.86

Dipole, Da:

12.09

IP(EA), eV:

 -8.88(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-chloro-2-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-1-[2-[3-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)N(C)C

DOS

IR

Vibrations