Geometry & MOs

Info

ID:

118497

PubChem CID:

50644518

Reduced:

ClFO5N6C31H40 (1)

Stoich.:

ABC5D6E31F40 (1)

Weight, g/mol:

616.257624

ΔHf, kcal/mol:

-268.56

Dipole, Da:

5.25

IP(EA), eV:

 -8.71(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[4-fluoro-3-(propanoylamino)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)F)NC(=O)C(C)C

DOS

IR

Vibrations