Geometry & MOs

Info

ID:

117895

PubChem CID:

50619668

Reduced:

ClF2O5N6C41H41 (1)

Stoich.:

AB2C5D6E41F41 (1)

Weight, g/mol:

698.241974

ΔHf, kcal/mol:

-236.06

Dipole, Da:

3.98

IP(EA), eV:

 -8.77(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5C)C(=O)NC6=C(C=CC(=C6)F)F)Cl

DOS

IR

Vibrations