Geometry & MOs

Info

ID:	51688
PubChem CID:	12014402
Reduced:	ClS2O3N4H13C18 (1)
Stoich.:	AB2C3D4E13F18 (1)
Weight, g/mol:	412.066383
ΔH_f, kcal/mol:	-14.0
Dipole, Da:	5.13
IP(EA), eV:	-9.4(-1.15)
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-yl-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione

Drug info:

PubChemData

Smile

C1C(=O)N=C(S1)N2C3C(C(N2)C4=CC=CS4)C(=O)N(C3=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations