Geometry & MOs

Info

ID:

93224

PubChem CID:

49992587

Reduced:

Cl2O3N4C29H36 (1)

Stoich.:

A2B3C4D29E36 (1)

Weight, g/mol:

512.25696

ΔHf, kcal/mol:

-139.68

Dipole, Da:

4.57

IP(EA), eV:

 -8.96(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations