Geometry & MOs

Info

ID:	209876
PubChem CID:	80733428
Reduced:	BrON2S2H9C11 (1)
Stoich.:	ABC2D2E9F11 (1)
Weight, g/mol:	285.01295
ΔH_f, kcal/mol:	50.89
Dipole, Da:	4.58
IP(EA), eV:	-8.92(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-methyl-3-(thieno[3,2-b]thiophene-5-carbonylamino)propanoic acid

Drug info:

PubChemData

Smile

CCC(C1=NN=C(O1)C2=CC3=C(S2)C=CS3)Br

DOS

IR

Vibrations