Geometry & MOs

Info

ID:

112008

PubChem CID:

50391507

Reduced:

F2O5N6C39H46 (1)

Stoich.:

A2B5C6D39E46 (1)

Weight, g/mol:

714.354111

ΔHf, kcal/mol:

-280.96

Dipole, Da:

10.39

IP(EA), eV:

 -8.79(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-fluoro-5-[(2-methoxybenzoyl)amino]anilino]-2-oxoethyl]-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)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=C(C=C5)F)C

DOS

IR

Vibrations