Geometry & MOs

Info

ID:

114538

PubChem CID:

50487228

Reduced:

ClFO5N6C40H40 (1)

Stoich.:

ABC5D6E40F40 (1)

Weight, g/mol:

736.318475

ΔHf, kcal/mol:

-184.43

Dipole, Da:

8.54

IP(EA), eV:

 -8.47(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(3-fluoro-4-methylphenyl)carbamoyl]phenyl]-1-[1-[2-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5Cl)C(=O)NC6=CC=C(C=C6)F

DOS

IR

Vibrations