Geometry & MOs

Info

ID:

103876

PubChem CID:

50078013

Reduced:

FN6O6C38H43 (1)

Stoich.:

AB6C6D38E43 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-238.55

Dipole, Da:

12.03

IP(EA), eV:

 -8.85(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(diethylcarbamoyl)phenyl]-1-[1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=O)N6CCOCC6

DOS

IR

Vibrations