Geometry & MOs

Info

ID:

116769

PubChem CID:

50575046

Reduced:

ClN6O6C39H45 (1)

Stoich.:

AB6C6D39E45 (1)

Weight, g/mol:

732.283839

ΔHf, kcal/mol:

-210.76

Dipole, Da:

4.56

IP(EA), eV:

 -8.6(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-[(3-fluorophenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC(=C(C=C5)Cl)C(=O)N6CCOCC6

DOS

IR

Vibrations