Geometry & MOs

Info

ID:	50142
PubChem CID:	12012649
Reduced:	S2O3N4H14C19 (1)
Stoich.:	A2B3C4D14E19 (1)
Weight, g/mol:	394.019433
ΔH_f, kcal/mol:	33.66
Dipole, Da:	5.31
IP(EA), eV:	-9.08(-1.52)
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-ylpyrrolo[3,4-c]pyrazole-4,6-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=C3C4=CC=CS4)C5=NC(=O)CS5

DOS

IR

Vibrations