Geometry & MOs

Info

ID:

99163

PubChem CID:

50048743

Reduced:

FN5O5C36H42 (1)

Stoich.:

AB5C5D36E42 (1)

Weight, g/mol:

629.337733

ΔHf, kcal/mol:

-225.44

Dipole, Da:

14.24

IP(EA), eV:

 -8.55(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]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=CC=CC(=C4)C(=O)C

DOS

IR

Vibrations