Geometry & MOs

Info

ID:

104034

PubChem CID:

50087004

Reduced:

ClFO5N6C34H38 (1)

Stoich.:

ABC5D6E34F38 (1)

Weight, g/mol:

544.250812

ΔHf, kcal/mol:

-235.34

Dipole, Da:

8.51

IP(EA), eV:

 -8.58(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-(3-methylsulfanylphenyl)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)NC(C)C(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C)F

DOS

IR

Vibrations