Geometry & MOs

Info

ID:

99842

PubChem CID:

50055455

Reduced:

ClFO5N6C40H46 (1)

Stoich.:

ABC5D6E40F46 (1)

Weight, g/mol:

730.304574

ΔHf, kcal/mol:

-237.24

Dipole, Da:

8.57

IP(EA), eV:

 -8.84(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-1-[1-[2-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=C(C=C2)Cl)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=C(C=C6)F)C

DOS

IR

Vibrations