Geometry & MOs

Info

ID:

105815

PubChem CID:

50139637

Reduced:

FO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

688.318475

ΔHf, kcal/mol:

-212.16

Dipole, Da:

6.61

IP(EA), eV:

 -8.98(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations