Geometry & MOs

Info

ID:

119098

PubChem CID:

50669836

Reduced:

ClO5N6C40H55 (1)

Stoich.:

AB5C6D40E55 (1)

Weight, g/mol:

692.228074

ΔHf, kcal/mol:

-238.36

Dipole, Da:

6.94

IP(EA), eV:

 -8.68(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(3-chlorobenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]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)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCCC5)C

DOS

IR

Vibrations