Geometry & MOs

Info

ID:

193223

PubChem CID:

78359048

Reduced:

ClSN3O5C27H32 (1)

Stoich.:

ABC3D5E27F32 (1)

Weight, g/mol:

545.17512

ΔHf, kcal/mol:

-142.5

Dipole, Da:

3.96

IP(EA), eV:

 -8.33(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CCCCCOC1=C(C=C(C=C1)C2C3=C(C(=O)N2C4=NN=C(S4)C)OC5CCC(CC5C3=O)Cl)OCC

DOS

IR

Vibrations