Geometry & MOs

Info

ID:	250953
PubChem CID:	103100332
Reduced:	ClS2O3N4C8H9 (1)
Stoich.:	AB2C3D4E8F9 (1)
Weight, g/mol:	320.041998
ΔH_f, kcal/mol:	-34.88
Dipole, Da:	5.83
IP(EA), eV:	-9.03(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)NC2=NC(=NN2)OC)Cl

DOS

IR

Vibrations