Geometry & MOs

Info

ID:

106252

PubChem CID:

50154629

Reduced:

FN6O6C39H47 (1)

Stoich.:

AB6C6D39E47 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-257.22

Dipole, Da:

17.34

IP(EA), eV:

 -8.61(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-fluoro-3-[(2-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(3-methylpiperidine-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)NCCC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=C(C=C5)F)OC)C

DOS

IR

Vibrations