Geometry & MOs

Info

ID:

109234

PubChem CID:

50277746

Reduced:

BrO4N5C36H44 (1)

Stoich.:

AB4C5D36E44 (1)

Weight, g/mol:

703.27332

ΔHf, kcal/mol:

-148.81

Dipole, Da:

8.81

IP(EA), eV:

 -8.6(-0.48)

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-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)Br)C)C

DOS

IR

Vibrations