Geometry & MOs

Info

ID:

95930

PubChem CID:

50016875

Reduced:

FN6O6C39H47 (1)

Stoich.:

AB6C6D39E47 (1)

Weight, g/mol:

617.276883

ΔHf, kcal/mol:

-249.53

Dipole, Da:

2.81

IP(EA), eV:

 -8.92(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-[(2-methylphenyl)carbamoyl]phenyl]-1-[2-[5-(diethylcarbamoyl)-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)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5F)OC

DOS

IR

Vibrations