Geometry & MOs

Info

ID:

98933

PubChem CID:

50047483

Reduced:

F2O5N6C43H48 (1)

Stoich.:

A2B5C6D43E48 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-258.41

Dipole, Da:

11.0

IP(EA), eV:

 -8.6(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-(dimethylcarbamoyl)-6-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)C)C

DOS

IR

Vibrations