Geometry & MOs

Info

ID:

109728

PubChem CID:

50295542

Reduced:

BrO4N5C32H44 (1)

Stoich.:

AB4C5D32E44 (1)

Weight, g/mol:

655.27332

ΔHf, kcal/mol:

-180.2

Dipole, Da:

8.08

IP(EA), eV:

 -8.86(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-bromo-2,6-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC(C)C

DOS

IR

Vibrations