Geometry & MOs

Info

ID:	378564
PubChem CID:	134224655
Reduced:	NSO3C26H37 (1)
Stoich.:	ABC3D26E37 (1)
Weight, g/mol:	179.076871
ΔH_f, kcal/mol:	-84.64
Dipole, Da:	4.95
IP(EA), eV:	-6.69(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butan-2-yl-4H-thieno[3,2-b]pyrrole

Drug info:

PubChemData

Smile

CS(C)(C)C1CCC(CC1)OC2=CC3=C(C=C2)C=C(C=C3)CN4CCC(CC4)C(=O)O

DOS

IR

Vibrations