Geometry & MOs

Info

ID:

110608

PubChem CID:

50332434

Reduced:

BrO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

706.360946

ΔHf, kcal/mol:

-224.72

Dipole, Da:

4.19

IP(EA), eV:

 -8.91(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations