Geometry & MOs

Info

ID:

111811

PubChem CID:

50381980

Reduced:

FN5O5C29H36 (1)

Stoich.:

AB5C5D29E36 (1)

Weight, g/mol:

595.316998

ΔHf, kcal/mol:

-237.3

Dipole, Da:

1.81

IP(EA), eV:

 -8.92(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-(2-methylbutanoylamino)phenyl]-1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)C)F)C(=O)N4CCOCC4

DOS

IR

Vibrations