Geometry & MOs

Info

ID:

106874

PubChem CID:

50179885

Reduced:

N3O3C20H24 (2)

Stoich.:

A3B3C20D24 (2)

Weight, g/mol:

583.294074

ΔHf, kcal/mol:

-219.86

Dipole, Da:

9.92

IP(EA), eV:

 -8.28(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=C(C=C5)C(=O)N6CCOCC6)C)C

DOS

IR

Vibrations