Geometry & MOs

Info

ID:

117804

PubChem CID:

50616434

Reduced:

ClFO4N5C26H31 (1)

Stoich.:

ABC4D5E26F31 (1)

Weight, g/mol:

545.22051

ΔHf, kcal/mol:

-194.53

Dipole, Da:

8.91

IP(EA), eV:

 -8.98(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-(2-fluoro-4-methylanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations