Geometry & MOs

Info

ID:

108627

PubChem CID:

50251985

Reduced:

ClF2N6O6C37H41 (1)

Stoich.:

AB2C6D6E37F41 (1)

Weight, g/mol:

766.365425

ΔHf, kcal/mol:

-300.87

Dipole, Da:

3.68

IP(EA), eV:

 -9.02(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(3-fluoro-4-methylphenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations