Geometry & MOs

Info

ID:

107189

PubChem CID:

50194307

Reduced:

ClO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

650.359197

ΔHf, kcal/mol:

-196.3

Dipole, Da:

9.87

IP(EA), eV:

 -8.81(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations