Geometry & MOs

Info

ID:

95738

PubChem CID:

50013217

Reduced:

ClO4N5C33H38 (1)

Stoich.:

AB4C5D33E38 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-135.65

Dipole, Da:

6.01

IP(EA), eV:

 -8.54(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations