Geometry & MOs

Info

ID:	166675
PubChem CID:	74723214
Reduced:	ClSN3O6C22H22 (1)
Stoich.:	ABC3D6E22F22 (1)
Weight, g/mol:	479.224263
ΔH_f, kcal/mol:	-140.29
Dipole, Da:	5.97
IP(EA), eV:	-8.8(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylphenyl)-2-[5-(2-methylpropyl)-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

COC1=CC(=CC(=C1OC)OC)C2C3=C(C(=O)N2C4=NN=CS4)OC5CCC(CC5C3=O)Cl

DOS

IR

Vibrations