Geometry & MOs

Info

ID:

115134

PubChem CID:

50510630

Reduced:

ClFO5N6C34H36 (1)

Stoich.:

ABC5D6E34F36 (1)

Weight, g/mol:

676.257624

ΔHf, kcal/mol:

-205.49

Dipole, Da:

8.32

IP(EA), eV:

 -8.94(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-[(3-fluoro-4-methylphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations