Geometry & MOs

Info

ID:

112632

PubChem CID:

50413934

Reduced:

ClFO5N6C42H50 (1)

Stoich.:

ABC5D6E42F50 (1)

Weight, g/mol:

528.1736

ΔHf, kcal/mol:

-238.24

Dipole, Da:

6.9

IP(EA), eV:

 -8.69(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-bromo-2,6-dimethylphenyl)-1-[1-[2-methyl-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C5CCCCC5)C(=O)NCC6=CC=C(C=C6)F

DOS

IR

Vibrations