Geometry & MOs

Info

ID:

113533

PubChem CID:

50449732

Reduced:

FN6O6C39H41 (1)

Stoich.:

AB6C6D39E41 (1)

Weight, g/mol:

598.290368

ΔHf, kcal/mol:

-212.8

Dipole, Da:

7.53

IP(EA), eV:

 -8.84(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-carbamoyl-6-methylanilino)-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4F)OC)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations