Geometry & MOs

Info

ID:

105277

PubChem CID:

50106804

Reduced:

BrFO3N4C30H32 (1)

Stoich.:

ABC3D4E30F32 (1)

Weight, g/mol:

653.281361

ΔHf, kcal/mol:

-131.34

Dipole, Da:

9.96

IP(EA), eV:

 -8.61(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Br)C

DOS

IR

Vibrations