Geometry & MOs

Info

ID:

90684

PubChem CID:

49971382

Reduced:

ClO4N5C36H48 (1)

Stoich.:

AB4C5D36E48 (1)

Weight, g/mol:

659.328311

ΔHf, kcal/mol:

-184.55

Dipole, Da:

8.59

IP(EA), eV:

 -8.86(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)N5CCC(CC5)C

DOS

IR

Vibrations