Geometry & MOs

Info

ID:

97018

PubChem CID:

50026844

Reduced:

ClF2O5N6C32H33 (1)

Stoich.:

AB2C5D6E32F33 (1)

Weight, g/mol:

696.263852

ΔHf, kcal/mol:

-253.33

Dipole, Da:

6.05

IP(EA), eV:

 -9.16(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-(diethylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC

DOS

IR

Vibrations