Geometry & MOs

Info

ID:

118363

PubChem CID:

50639459

Reduced:

ClFO4N5C33H37 (1)

Stoich.:

ABC4D5E33F37 (1)

Weight, g/mol:

625.226739

ΔHf, kcal/mol:

-178.22

Dipole, Da:

7.0

IP(EA), eV:

 -9.08(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[(2,5-difluorophenyl)carbamoyl]-6-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC=C3C(=O)NCC4=CC=C(C=C4)F)C

DOS

IR

Vibrations