Geometry & MOs

Info

ID:

109393

PubChem CID:

50282728

Reduced:

FN6O6C37H43 (1)

Stoich.:

AB6C6D37E43 (1)

Weight, g/mol:

696.343547

ΔHf, kcal/mol:

-256.27

Dipole, Da:

5.27

IP(EA), eV:

 -8.93(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=C(C=C5)F)C

DOS

IR

Vibrations