Geometry & MOs

Info

ID:

93434

PubChem CID:

49994917

Reduced:

ClO4N5C37H44 (1)

Stoich.:

AB4C5D37E44 (1)

Weight, g/mol:

589.362805

ΔHf, kcal/mol:

-150.66

Dipole, Da:

6.54

IP(EA), eV:

 -8.72(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[3-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations