Geometry & MOs

Info

ID:

98548

PubChem CID:

50044961

Reduced:

FN5O5C39H42 (1)

Stoich.:

AB5C5D39E42 (1)

Weight, g/mol:

615.322083

ΔHf, kcal/mol:

-191.64

Dipole, Da:

12.72

IP(EA), eV:

 -8.67(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(4-fluoro-2-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=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations