Geometry & MOs

Info

ID:

111347

PubChem CID:

50362885

Reduced:

BrO4N5C29H36 (1)

Stoich.:

AB4C5D29E36 (1)

Weight, g/mol:

644.368619

ΔHf, kcal/mol:

-150.24

Dipole, Da:

6.24

IP(EA), eV:

 -8.85(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Br)C(=O)N)C(=O)N4CCCCC4

DOS

IR

Vibrations