Geometry & MOs

Info

ID:

91958

PubChem CID:

49980713

Reduced:

ClO4N5C32H40 (1)

Stoich.:

AB4C5D32E40 (1)

Weight, g/mol:

613.306433

ΔHf, kcal/mol:

-161.91

Dipole, Da:

8.18

IP(EA), eV:

 -9.12(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCC5

DOS

IR

Vibrations