Geometry & MOs

Info

ID:

115537

PubChem CID:

50526457

Reduced:

FO4N5C36H36 (1)

Stoich.:

AB4C5D36E36 (1)

Weight, g/mol:

639.265711

ΔHf, kcal/mol:

-141.25

Dipole, Da:

4.09

IP(EA), eV:

 -8.81(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[4-[(4-fluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5)C)F

DOS

IR

Vibrations