Geometry & MOs

Info

ID:

111787

PubChem CID:

50381168

Reduced:

ClN5O5C34H44 (1)

Stoich.:

AB5C5D34E44 (1)

Weight, g/mol:

635.323833

ΔHf, kcal/mol:

-212.57

Dipole, Da:

5.27

IP(EA), eV:

 -9.11(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(cyclopentylcarbamoyl)phenyl]-1-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)N5CCOCC5)C

DOS

IR

Vibrations