Geometry & MOs

Info

ID:

116770

PubChem CID:

50575047

Reduced:

ClFN6O6C38H42 (1)

Stoich.:

ABC6D6E38F42 (1)

Weight, g/mol:

732.283839

ΔHf, kcal/mol:

-252.71

Dipole, Da:

5.89

IP(EA), eV:

 -9.02(-0.56)

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-[(2-fluorophenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N2CCOCC2)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=O)NC6=CC(=CC=C6)F

DOS

IR

Vibrations