Geometry & MOs

Info

ID:	193226
PubChem CID:	78359051
Reduced:	SN3O5C27H33 (1)
Stoich.:	AB3C5D27E33 (1)
Weight, g/mol:	487.156577
ΔH_f, kcal/mol:	-132.05
Dipole, Da:	5.54
IP(EA), eV:	-8.21(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(3-phenoxyphenyl)-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)C)OC

DOS

IR

Vibrations