Geometry & MOs

Info

ID:

105981

PubChem CID:

50145164

Reduced:

FO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-239.82

Dipole, Da:

9.31

IP(EA), eV:

 -8.75(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-fluoro-5-[(3-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)F)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC(C)C)C

DOS

IR

Vibrations