Geometry & MOs

Info

ID:

120061

PubChem CID:

50712541

Reduced:

ClF3O3N4C26H30 (1)

Stoich.:

AB3C3D4E26F30 (1)

Weight, g/mol:

708.282696

ΔHf, kcal/mol:

-244.55

Dipole, Da:

7.66

IP(EA), eV:

 -9.03(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-[(4-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C(=C(C=C3)F)F)F

DOS

IR

Vibrations