Geometry & MOs

Info

ID:

118892

PubChem CID:

50663121

Reduced:

ClFO5N6C41H48 (1)

Stoich.:

ABC5D6E41F48 (1)

Weight, g/mol:

635.323833

ΔHf, kcal/mol:

-245.59

Dipole, Da:

8.83

IP(EA), eV:

 -8.87(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-N-[2-methyl-6-[(2-methylcyclohexyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCCC6)Cl)C)F

DOS

IR

Vibrations