Geometry & MOs

Info

ID:

95569

PubChem CID:

50010372

Reduced:

FO4N5C33H38 (1)

Stoich.:

AB4C5D33E38 (1)

Weight, g/mol:

507.284555

ΔHf, kcal/mol:

-176.38

Dipole, Da:

7.16

IP(EA), eV:

 -9.1(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[4-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC)C

DOS

IR

Vibrations