Geometry & MOs

Info

ID:

96165

PubChem CID:

50019237

Reduced:

FO5N6C43H53 (1)

Stoich.:

AB5C6D43E53 (1)

Weight, g/mol:

653.281361

ΔHf, kcal/mol:

-238.6

Dipole, Da:

9.56

IP(EA), eV:

 -8.76(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NCC6=CC=C(C=C6)F)C)C

DOS

IR

Vibrations