Geometry & MOs

Info

ID:

110942

PubChem CID:

50344880

Reduced:

N6O6C35H46 (1)

Stoich.:

A6B6C35D46 (1)

Weight, g/mol:

639.24202

ΔHf, kcal/mol:

-229.29

Dipole, Da:

4.69

IP(EA), eV:

 -8.86(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethyl]-1-[2-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations