Geometry & MOs

Info

ID:

106337

PubChem CID:

50158242

Reduced:

FO5N6C41H49 (1)

Stoich.:

AB5C6D41E49 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-226.45

Dipole, Da:

12.94

IP(EA), eV:

 -8.78(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-fluoro-3-[(3-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-4-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(=O)NC6=C(C=CC(=C6)F)C)C

DOS

IR

Vibrations