Geometry & MOs

Info

ID:

103719

PubChem CID:

50072427

Reduced:

ClFN4O4C30H32 (1)

Stoich.:

ABC4D4E30F32 (1)

Weight, g/mol:

594.16418

ΔHf, kcal/mol:

-171.13

Dipole, Da:

11.09

IP(EA), eV:

 -8.5(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)OC)F

DOS

IR

Vibrations