Geometry & MOs

Info

ID:

109332

PubChem CID:

50280691

Reduced:

ClFO5N6C31H32 (1)

Stoich.:

ABC5D6E31F32 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-214.09

Dipole, Da:

8.1

IP(EA), eV:

 -8.78(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)Cl)C(=O)N

DOS

IR

Vibrations