Geometry & MOs

Info

ID:

119909

PubChem CID:

50706790

Reduced:

ClFO4N5C33H37 (1)

Stoich.:

ABC4D5E33F37 (1)

Weight, g/mol:

603.261232

ΔHf, kcal/mol:

-181.42

Dipole, Da:

3.95

IP(EA), eV:

 -8.95(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NC4=C(C=C(C=C4)C)F

DOS

IR

Vibrations