Geometry & MOs

Info

ID:

110670

PubChem CID:

50335004

Reduced:

F2O5N6C38H44 (1)

Stoich.:

A2B5C6D38E44 (1)

Weight, g/mol:

660.399919

ΔHf, kcal/mol:

-266.67

Dipole, Da:

7.49

IP(EA), eV:

 -8.79(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-(butan-2-ylcarbamoyl)-6-methylanilino]-3-oxopropyl]-1-[1-[2-methyl-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC=C(C=C4)F)C(=O)N5CCCCC5

DOS

IR

Vibrations