Geometry & MOs

Info

ID:

113719

PubChem CID:

50455793

Reduced:

ClO5N6C41H43 (1)

Stoich.:

AB5C6D41E43 (1)

Weight, g/mol:

526.294391

ΔHf, kcal/mol:

-149.43

Dipole, Da:

4.29

IP(EA), eV:

 -8.54(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5)NC(=O)C6=CC=CC=C6Cl

DOS

IR

Vibrations