Geometry & MOs

Info

ID:

114352

PubChem CID:

50480226

Reduced:

ClFO5N6C41H48 (1)

Stoich.:

ABC5D6E41F48 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-235.24

Dipole, Da:

5.6

IP(EA), eV:

 -8.57(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(3-fluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C5CCCCC5)C(=O)NC6=CC(=CC=C6)F

DOS

IR

Vibrations