Geometry & MOs

Info

ID:

103694

PubChem CID:

50072308

Reduced:

FN4O4C31H35 (1)

Stoich.:

AB4C4D31E35 (1)

Weight, g/mol:

587.290783

ΔHf, kcal/mol:

-159.07

Dipole, Da:

10.61

IP(EA), eV:

 -8.62(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NCC4=CC=C(C=C4)OC)F

DOS

IR

Vibrations