Geometry & MOs

Info

ID:

119182

PubChem CID:

50672884

Reduced:

ClFO5N6C42H50 (1)

Stoich.:

ABC5D6E42F50 (1)

Weight, g/mol:

664.313996

ΔHf, kcal/mol:

-233.73

Dipole, Da:

6.57

IP(EA), eV:

 -8.86(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[4-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5C)C(=O)NC6=C(C=C(C=C6)C)F

DOS

IR

Vibrations