Geometry & MOs

Info

ID:

109692

PubChem CID:

50294330

Reduced:

F3O5N6C40H41 (1)

Stoich.:

A3B5C6D40E41 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-286.53

Dipole, Da:

3.79

IP(EA), eV:

 -8.6(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC(=C(C=C5)F)F)C)F

DOS

IR

Vibrations