Geometry & MOs

Info

ID:

106555

PubChem CID:

50168460

Reduced:

N5O6C36H49 (1)

Stoich.:

A5B6C36D49 (1)

Weight, g/mol:

685.2639

ΔHf, kcal/mol:

-252.01

Dipole, Da:

7.23

IP(EA), eV:

 -8.41(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC5=C(C=C4)OCCO5)C

DOS

IR

Vibrations