Geometry & MOs

Info

ID:

107014

PubChem CID:

50185863

Reduced:

FO5N6C42H53 (1)

Stoich.:

AB5C6D42E53 (1)

Weight, g/mol:

696.26348

ΔHf, kcal/mol:

-249.65

Dipole, Da:

1.77

IP(EA), eV:

 -8.81(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC=C4C(=O)NC5=CC(=C(C=C5)C)F)C)C

DOS

IR

Vibrations