Geometry & MOs

Info

ID:

90450

PubChem CID:

49969817

Reduced:

BrO4N5C35H48 (1)

Stoich.:

AB4C5D35E48 (1)

Weight, g/mol:

667.27332

ΔHf, kcal/mol:

-190.21

Dipole, Da:

6.75

IP(EA), eV:

 -8.92(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-bromo-3-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4C)Br)C

DOS

IR

Vibrations