Geometry & MOs

Info

ID:

193221

PubChem CID:

78359046

Reduced:

ClSN3O5H28C29 (1)

Stoich.:

ABC3D5E28F29 (1)

Weight, g/mol:

531.15947

ΔHf, kcal/mol:

-90.7

Dipole, Da:

3.07

IP(EA), eV:

 -9.15(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(4-butoxy-3-ethoxyphenyl)-7-chloro-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

CCOC1=C(C=CC(=C1)C2C3=C(C(=O)N2C4=NN=C(S4)C)OC5CCC(CC5C3=O)Cl)OCC6=CC=CC=C6

DOS

IR

Vibrations