Geometry & MOs

Info

ID:

99845

PubChem CID:

50055469

Reduced:

ClFO5N6C40H46 (1)

Stoich.:

ABC5D6E40F46 (1)

Weight, g/mol:

544.284969

ΔHf, kcal/mol:

-241.17

Dipole, Da:

7.21

IP(EA), eV:

 -8.64(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)C6CCCCC6)Cl

DOS

IR

Vibrations