Geometry & MOs

Info

ID:

120439

PubChem CID:

50727333

Reduced:

ClFO5N6H36C37 (1)

Stoich.:

ABC5D6E36F37 (1)

Weight, g/mol:

680.228074

ΔHf, kcal/mol:

-184.9

Dipole, Da:

1.3

IP(EA), eV:

 -8.9(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(butan-2-ylcarbamoyl)-5-chloroanilino]-2-oxoethyl]-1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations