Geometry & MOs

Info

ID:

109856

PubChem CID:

50299953

Reduced:

F2O5N6C39H40 (1)

Stoich.:

A2B5C6D39E40 (1)

Weight, g/mol:

616.280946

ΔHf, kcal/mol:

-239.95

Dipole, Da:

2.09

IP(EA), eV:

 -8.76(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC(=C(C=C5)C)F)C)F

DOS

IR

Vibrations