Geometry & MOs

Info

ID:

105154

PubChem CID:

50106506

Reduced:

FO3N4C29H31 (1)

Stoich.:

AB3C4D29E31 (1)

Weight, g/mol:

552.231888

ΔHf, kcal/mol:

-122.81

Dipole, Da:

4.4

IP(EA), eV:

 -8.83(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations