Geometry & MOs

Info

ID:

119915

PubChem CID:

50706921

Reduced:

Cl2F3O4N5C28H32 (1)

Stoich.:

A2B3C4D5E28F32 (1)

Weight, g/mol:

595.292532

ΔHf, kcal/mol:

-323.34

Dipole, Da:

9.11

IP(EA), eV:

 -9.24(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-[2-(cyclopentylcarbamoyl)-6-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

DOS

IR

Vibrations