Geometry & MOs

Info

ID:

116973

PubChem CID:

50583113

Reduced:

ClFN6O6C41H50 (1)

Stoich.:

ABC6D6E41F50 (1)

Weight, g/mol:

678.329646

ΔHf, kcal/mol:

-274.53

Dipole, Da:

10.17

IP(EA), eV:

 -8.6(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=CC=C5OC)Cl

DOS

IR

Vibrations