Geometry & MOs

Info

ID:

117104

PubChem CID:

50589709

Reduced:

ClFO5N6C31H38 (1)

Stoich.:

ABC5D6E31F38 (1)

Weight, g/mol:

581.276883

ΔHf, kcal/mol:

-261.27

Dipole, Da:

8.03

IP(EA), eV:

 -9.0(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)NC(=O)C)F)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCC4

DOS

IR

Vibrations