Geometry & MOs

Info

ID:

100959

PubChem CID:

50064214

Reduced:

ClFO4N5C37H37 (1)

Stoich.:

ABC4D5E37F37 (1)

Weight, g/mol:

651.285698

ΔHf, kcal/mol:

-154.95

Dipole, Da:

10.94

IP(EA), eV:

 -8.71(-0.98)

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-[(4-methoxybenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC5=CC=CC=C5C

DOS

IR

Vibrations