Geometry & MOs

Info

ID:

120077

PubChem CID:

50712721

Reduced:

ClO4N5C33H44 (1)

Stoich.:

AB4C5D33E44 (1)

Weight, g/mol:

635.267461

ΔHf, kcal/mol:

-179.92

Dipole, Da:

5.43

IP(EA), eV:

 -9.08(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[4-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)NC4CCCCC4

DOS

IR

Vibrations