Geometry & MOs

Info

ID:

106347

PubChem CID:

50158813

Reduced:

O5N6C41H50 (1)

Stoich.:

A5B6C41D50 (1)

Weight, g/mol:

575.347155

ΔHf, kcal/mol:

-186.57

Dipole, Da:

10.15

IP(EA), eV:

 -8.67(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)NC(=O)C6=CC=CC(=C6)C)C

DOS

IR

Vibrations