Geometry & MOs

Info

ID:

118396

PubChem CID:

50641406

Reduced:

ClF3O3N4C26H28 (1)

Stoich.:

AB3C3D4E26F28 (1)

Weight, g/mol:

654.329646

ΔHf, kcal/mol:

-235.65

Dipole, Da:

9.59

IP(EA), eV:

 -9.09(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[3-(diethylcarbamoyl)-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations