Geometry & MOs

Info

ID:

118039

PubChem CID:

50625591

Reduced:

ClF3O4N5C28H33 (1)

Stoich.:

AB3C4D5E28F33 (1)

Weight, g/mol:

598.267046

ΔHf, kcal/mol:

-317.83

Dipole, Da:

10.65

IP(EA), eV:

 -9.01(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)C(F)(F)F)Cl

DOS

IR

Vibrations