Geometry & MOs

Info

ID:

99688

PubChem CID:

50054118

Reduced:

FN4O4C31H35 (1)

Stoich.:

AB4C4D31E35 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-161.32

Dipole, Da:

10.9

IP(EA), eV:

 -8.69(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-(2-methylpropanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC=C4OC

DOS

IR

Vibrations