Geometry & MOs

Info

ID:

106893

PubChem CID:

50180584

Reduced:

F2O5N6C37H42 (1)

Stoich.:

A2B5C6D37E42 (1)

Weight, g/mol:

700.338461

ΔHf, kcal/mol:

-271.01

Dipole, Da:

6.64

IP(EA), eV:

 -8.72(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-fluoro-3-[(3-methoxybenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[2-methyl-4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC(=CC=C5)F)C

DOS

IR

Vibrations