Geometry & MOs

Info

ID:

309404

PubChem CID:

126546033

Reduced:

N2H44C61 (1)

Stoich.:

A2B44C61 (1)

Weight, g/mol:

531.102195

ΔHf, kcal/mol:

375.5

Dipole, Da:

0.81

IP(EA), eV:

 -8.02(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-methylsulfanyl-N-phenylpiperazine-1-sulfonamide

Drug info:

PubChemData

Smile

C1C=CC=C(C#C1)C2=CC(=CC(=C2NC3=CC=C(C=C3)C4=CC=C(C=C4)N(C5=CC=C(C=C5)C6=CC=CC=C6)C7=CC=C(C=C7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations