Geometry & MOs

Info

ID:

113160

PubChem CID:

50433179

Reduced:

ClO4N5C33H46 (1)

Stoich.:

AB4C5D33E46 (1)

Weight, g/mol:

601.306433

ΔHf, kcal/mol:

-198.75

Dipole, Da:

4.83

IP(EA), eV:

 -8.66(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations