Geometry & MOs

Info

ID:

119866

PubChem CID:

50705618

Reduced:

ClN6O6C35H41 (1)

Stoich.:

AB6C6D35E41 (1)

Weight, g/mol:

660.282696

ΔHf, kcal/mol:

-206.72

Dipole, Da:

2.28

IP(EA), eV:

 -8.37(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[3-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations