Geometry & MOs

Info

ID:

108094

PubChem CID:

50229757

Reduced:

FN5O5C37H38 (1)

Stoich.:

AB5C5D37E38 (1)

Weight, g/mol:

651.285698

ΔHf, kcal/mol:

-174.16

Dipole, Da:

8.05

IP(EA), eV:

 -8.52(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations