Geometry & MOs

Info

ID:

117275

PubChem CID:

50596587

Reduced:

ClFN6O6C35H38 (1)

Stoich.:

ABC6D6E35F38 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-246.27

Dipole, Da:

8.91

IP(EA), eV:

 -8.96(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-[(4-fluorophenyl)carbamoyl]-6-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)F)NC(=O)C2=CC=CC=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations