Geometry & MOs

Info

ID:

110892

PubChem CID:

50343511

Reduced:

BrO5N6C32H41 (1)

Stoich.:

AB5C6D32E41 (1)

Weight, g/mol:

696.26348

ΔHf, kcal/mol:

-198.61

Dipole, Da:

12.14

IP(EA), eV:

 -9.05(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-bromo-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)Br)C(=O)N)C

DOS

IR

Vibrations