Geometry & MOs

Info

ID:

91589

PubChem CID:

49977221

Reduced:

FN6O7C37H43 (1)

Stoich.:

AB6C7D37E43 (1)

Weight, g/mol:

686.322811

ΔHf, kcal/mol:

-280.84

Dipole, Da:

8.8

IP(EA), eV:

 -8.86(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-fluoro-5-[(2-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=C(C=C5)OC)F

DOS

IR

Vibrations