Geometry & MOs

Info

ID:

118044

PubChem CID:

50626003

Reduced:

ClFN6O6C35H40 (1)

Stoich.:

ABC6D6E35F40 (1)

Weight, g/mol:

555.261232

ΔHf, kcal/mol:

-248.02

Dipole, Da:

11.11

IP(EA), eV:

 -8.96(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-[1-(2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations