Geometry & MOs

Info

ID:	51689
PubChem CID:	12014403
Reduced:	S2O3N4H16C19 (1)
Stoich.:	A2B3C4D16E19 (1)
Weight, g/mol:	396.035083
ΔH_f, kcal/mol:	-14.29
Dipole, Da:	4.22
IP(EA), eV:	-9.17(-1.02)
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-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C3C(NN(C3C2=O)C4=NC(=O)CS4)C5=CC=CS5

DOS

IR

Vibrations