Geometry & MOs

Info

ID:

115753

PubChem CID:

50532982

Reduced:

ClFO5N6C33H34 (1)

Stoich.:

ABC5D6E33F34 (1)

Weight, g/mol:

648.226324

ΔHf, kcal/mol:

-205.47

Dipole, Da:

3.5

IP(EA), eV:

 -8.43(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]piperidine-4-carbonyl]-N-[4-[(3-fluorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations