Geometry & MOs

Info

ID:

99339

PubChem CID:

50049962

Reduced:

FN5O5C33H38 (1)

Stoich.:

AB5C5D33E38 (1)

Weight, g/mol:

651.18565

ΔHf, kcal/mol:

-217.45

Dipole, Da:

2.78

IP(EA), eV:

 -8.56(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC(=C4)F)C)C

DOS

IR

Vibrations