Geometry & MOs

Info

ID:

113300

PubChem CID:

50438916

Reduced:

BrFO3N4C30H32 (1)

Stoich.:

ABC3D4E30F32 (1)

Weight, g/mol:

530.269319

ΔHf, kcal/mol:

-124.43

Dipole, Da:

7.0

IP(EA), eV:

 -8.94(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC=C4Br)C

DOS

IR

Vibrations