Geometry & MOs

Info

ID:

91406

PubChem CID:

49975706

Reduced:

FN6O6C31H39 (1)

Stoich.:

AB6C6D31E39 (1)

Weight, g/mol:

652.338461

ΔHf, kcal/mol:

-281.17

Dipole, Da:

7.54

IP(EA), eV:

 -8.86(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-fluoro-3-(2-methylbutanoylamino)anilino]-1-oxopropan-2-yl]-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)NC(C)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C

DOS

IR

Vibrations