Geometry & MOs

Info

ID:

116267

PubChem CID:

50553710

Reduced:

ClO4N5C29H36 (1)

Stoich.:

AB4C5D29E36 (1)

Weight, g/mol:

518.186688

ΔHf, kcal/mol:

-162.51

Dipole, Da:

9.2

IP(EA), eV:

 -8.89(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCCC4

DOS

IR

Vibrations