Geometry & MOs

Info

ID:

103652

PubChem CID:

50072103

Reduced:

F2O4N5C37H37 (1)

Stoich.:

A2B4C5D37E37 (1)

Weight, g/mol:

589.270047

ΔHf, kcal/mol:

-186.97

Dipole, Da:

4.81

IP(EA), eV:

 -8.9(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=CC=C5)F)C

DOS

IR

Vibrations