Geometry & MOs

Info

ID:

111151

PubChem CID:

50354450

Reduced:

FO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

686.298346

ΔHf, kcal/mol:

-267.65

Dipole, Da:

4.26

IP(EA), eV:

 -8.77(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[2-methyl-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)NC(=O)C4CCCCC4)F)C

DOS

IR

Vibrations