Geometry & MOs

Info

ID:

102517

PubChem CID:

50067930

Reduced:

F2O5N6C38H38 (1)

Stoich.:

A2B5C6D38E38 (1)

Weight, g/mol:

601.306433

ΔHf, kcal/mol:

-224.72

Dipole, Da:

5.17

IP(EA), eV:

 -8.94(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations