Geometry & MOs

Info

ID:

102679

PubChem CID:

50068867

Reduced:

F2O5N6C44H48 (1)

Stoich.:

A2B5C6D44E48 (1)

Weight, g/mol:

778.365425

ΔHf, kcal/mol:

-242.96

Dipole, Da:

7.25

IP(EA), eV:

 -8.63(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NC6=C(C=CC(=C6)F)C)C)F

DOS

IR

Vibrations