Geometry & MOs

Info

ID:

96814

PubChem CID:

50024645

Reduced:

ClFO3N4C30H32 (1)

Stoich.:

ABC3D4E30F32 (1)

Weight, g/mol:

653.281361

ΔHf, kcal/mol:

-130.78

Dipole, Da:

5.43

IP(EA), eV:

 -9.02(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C(=CC=C4)Cl)C

DOS

IR

Vibrations