Geometry & MOs

Info

ID:

115163

PubChem CID:

50511735

Reduced:

ClFO5N6C35H38 (1)

Stoich.:

ABC5D6E35F38 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-224.54

Dipole, Da:

9.09

IP(EA), eV:

 -8.94(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(4-fluorophenyl)carbamoyl]-6-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2=CC=CC=C2NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC(=C(C=C5)Cl)C(=O)N

DOS

IR

Vibrations