Geometry & MOs

Info

ID:

113554

PubChem CID:

50450552

Reduced:

ClF2O5N6C41H41 (1)

Stoich.:

AB2C5D6E41F41 (1)

Weight, g/mol:

708.282696

ΔHf, kcal/mol:

-231.36

Dipole, Da:

4.31

IP(EA), eV:

 -8.89(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-[(2-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)NC6=C(C=CC=C6F)F)Cl

DOS

IR

Vibrations