Geometry & MOs

Info

ID:

117080

PubChem CID:

50588282

Reduced:

ClN5O6C31H38 (1)

Stoich.:

AB5C6D31E38 (1)

Weight, g/mol:

712.290674

ΔHf, kcal/mol:

-234.38

Dipole, Da:

5.98

IP(EA), eV:

 -8.46(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC5=C(C=C4)OCCO5)Cl

DOS

IR

Vibrations