Geometry & MOs

Info

ID:

91827

PubChem CID:

49979391

Reduced:

FN3O3C20H23 (2)

Stoich.:

AB3C3D20E23 (2)

Weight, g/mol:

746.36034

ΔHf, kcal/mol:

-298.46

Dipole, Da:

8.74

IP(EA), eV:

 -8.91(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-fluoro-3-[[2-(4-fluorophenyl)acetyl]amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)CC6=CC=C(C=C6)F)F

DOS

IR

Vibrations