Geometry & MOs

Info

ID:

116399

PubChem CID:

50558944

Reduced:

ClF2O3N4C26H29 (1)

Stoich.:

AB2C3D4E26F29 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-194.21

Dipole, Da:

6.83

IP(EA), eV:

 -8.98(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[3-[3-[(4-fluorophenyl)methylcarbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N2CCCC2)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations