Geometry & MOs

Info

ID:

100229

PubChem CID:

50059284

Reduced:

F2N6O6C43H48 (1)

Stoich.:

A2B6C6D43E48 (1)

Weight, g/mol:

764.349775

ΔHf, kcal/mol:

-292.5

Dipole, Da:

11.97

IP(EA), eV:

 -8.52(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[5-[(4-fluorophenyl)carbamoyl]-2-methylphenyl]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)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations