Geometry & MOs

Info

ID:

100094

PubChem CID:

50058155

Reduced:

ClFO3N4C30H32 (1)

Stoich.:

ABC3D4E30F32 (1)

Weight, g/mol:

558.300619

ΔHf, kcal/mol:

-134.92

Dipole, Da:

8.77

IP(EA), eV:

 -8.73(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations