Geometry & MOs

Info

ID:

93178

PubChem CID:

49992273

Reduced:

FO4N5C31H40 (1)

Stoich.:

AB4C5D31E40 (1)

Weight, g/mol:

659.328311

ΔHf, kcal/mol:

-219.8

Dipole, Da:

9.89

IP(EA), eV:

 -8.85(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[4-fluoro-3-[[2-(4-fluorophenyl)acetyl]amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C

DOS

IR

Vibrations