Geometry & MOs

Info

ID:

174543

PubChem CID:

75781725

Reduced:

SN3O3H23C24 (1)

Stoich.:

AB3C3D23E24 (1)

Weight, g/mol:

501.104454

ΔHf, kcal/mol:

-14.9

Dipole, Da:

6.33

IP(EA), eV:

 -8.26(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2,2-dichloroethenyl)-2,2-dimethyl-N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CCCCOC1=CC2=C(C3=C1N=CC=C3)N=C(S2)NC(=O)C=CC4=CC=C(C=C4)OC

DOS

IR

Vibrations