Geometry & MOs

Info

ID:	50144
PubChem CID:	12012651
Reduced:	ClS2O3N4H9C18 (1)
Stoich.:	AB2C3D4E9F18 (1)
Weight, g/mol:	408.035083
ΔH_f, kcal/mol:	40.61
Dipole, Da:	6.85
IP(EA), eV:	-9.14(-2.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methylphenyl)-1-(4-oxo-1,3-thiazol-2-yl)-3-thiophen-2-ylpyrrolo[3,4-c]pyrazole-4,6-dione

Drug info:

PubChemData

Smile

C1C(=O)N=C(S1)N2C3=C(C(=N2)C4=CC=CS4)C(=O)N(C3=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations