Geometry & MOs

Info

ID:

102197

PubChem CID:

50065520

Reduced:

ClFO4N5C35H41 (1)

Stoich.:

ABC4D5E35F41 (1)

Weight, g/mol:

780.381075

ΔHf, kcal/mol:

-194.42

Dipole, Da:

7.38

IP(EA), eV:

 -8.57(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=CC=C4)Cl)F

DOS

IR

Vibrations