Geometry & MOs

Info

ID:

111955

PubChem CID:

50388701

Reduced:

ClF3O3N4C31H38 (1)

Stoich.:

AB3C3D4E31F38 (1)

Weight, g/mol:

662.379183

ΔHf, kcal/mol:

-298.23

Dipole, Da:

3.59

IP(EA), eV:

 -8.87(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-methoxy-4-(propanoylamino)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl)C

DOS

IR

Vibrations