Geometry & MOs

Info

ID:

115756

PubChem CID:

50533035

Reduced:

ClO4N5C29H36 (1)

Stoich.:

AB4C5D29E36 (1)

Weight, g/mol:

579.20486

ΔHf, kcal/mol:

-163.77

Dipole, Da:

5.54

IP(EA), eV:

 -8.97(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=CC=C2NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations