Geometry & MOs

Info

ID:

109215

PubChem CID:

50277307

Reduced:

FN3O3C19H19 (2)

Stoich.:

AB3C3D19E19 (2)

Weight, g/mol:

615.322083

ΔHf, kcal/mol:

-262.84

Dipole, Da:

8.88

IP(EA), eV:

 -8.3(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[4-methyl-3-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5F)OC

DOS

IR

Vibrations