Geometry & MOs

Info

ID:

117973

PubChem CID:

50622690

Reduced:

Cl2O5N6H36C37 (1)

Stoich.:

A2B5C6D36E37 (1)

Weight, g/mol:

641.22051

ΔHf, kcal/mol:

-145.33

Dipole, Da:

10.91

IP(EA), eV:

 -8.76(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[[2-(4-fluorophenyl)acetyl]amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations