Geometry & MOs

Info

ID:	51686
PubChem CID:	12014400
Reduced:	NSH19C24 (1)
Stoich.:	ABC19D24 (1)
Weight, g/mol:	398.050733
ΔH_f, kcal/mol:	107.83
Dipole, Da:	5.05
IP(EA), eV:	-8.4(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-oxo-1,3-thiazol-2-yl)-5-phenyl-3-thiophen-2-yl-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=S)N(C2=CC=CC=C2)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations