Geometry & MOs

Info

ID:

110940

PubChem CID:

50344853

Reduced:

FN6O6C38H45 (1)

Stoich.:

AB6C6D38E45 (1)

Weight, g/mol:

648.363533

ΔHf, kcal/mol:

-252.48

Dipole, Da:

8.41

IP(EA), eV:

 -8.31(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-methoxy-3-(2-methylpropanoylamino)anilino]-2-oxoethyl]-1-[2-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC(=CC=C5)F)C

DOS

IR

Vibrations