Geometry & MOs

Info

ID:

113373

PubChem CID:

50441500

Reduced:

ClFO5N6C41H50 (1)

Stoich.:

ABC5D6E41F50 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-259.83

Dipole, Da:

8.5

IP(EA), eV:

 -9.12(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-[(3-fluorophenyl)carbamoyl]-6-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)C(=O)NC5CCCCC5)Cl)C

DOS

IR

Vibrations