Geometry & MOs

Info

ID:	192214
PubChem CID:	78246704
Reduced:	SN3O4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	437.140927
ΔH_f, kcal/mol:	-81.97
Dipole, Da:	7.1
IP(EA), eV:	-8.82(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)C2C3=C(C(=O)N2C4=NN=C(S4)C)OC5CCCCC5C3=O

DOS

IR

Vibrations