Geometry & MOs

Info

ID:

102364

PubChem CID:

50066655

Reduced:

F2O3N4C28H28 (1)

Stoich.:

A2B3C4D28E28 (1)

Weight, g/mol:

660.287175

ΔHf, kcal/mol:

-161.75

Dipole, Da:

6.5

IP(EA), eV:

 -9.1(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-(methylcarbamoyl)phenyl]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)NC4=CC=C(C=C4)F

DOS

IR

Vibrations