Geometry & MOs

Info

ID:	193222
PubChem CID:	78359047
Reduced:	ClSN3O5C26H30 (1)
Stoich.:	ABC3D5E26F30 (1)
Weight, g/mol:	545.17512
ΔH_f, kcal/mol:	-137.91
Dipole, Da:	4.31
IP(EA), eV:	-8.26(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-1-(3-ethoxy-4-pentoxyphenyl)-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

CCCCOC1=C(C=C(C=C1)C2C3=C(C(=O)N2C4=NN=C(S4)C)OC5CCC(CC5C3=O)Cl)OCC

DOS

IR

Vibrations