Geometry & MOs

Info

ID:

109355

PubChem CID:

50281394

Reduced:

FN5O5C36H44 (1)

Stoich.:

AB5C5D36E44 (1)

Weight, g/mol:

565.18921

ΔHf, kcal/mol:

-226.72

Dipole, Da:

8.5

IP(EA), eV:

 -8.88(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-carbamoyl-4-chlorophenyl)-1-[2-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NCC4=CC=C(C=C4)OC)C)F

DOS

IR

Vibrations