Geometry & MOs

Info

ID:	408405
PubChem CID:	135081171
Reduced:	SN2O2C7H14 (1)
Stoich.:	AB2C2D7E14 (1)
Weight, g/mol:	229.952993
ΔH_f, kcal/mol:	-19.39
Dipole, Da:	7.07
IP(EA), eV:	-8.66(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-thieno[2,3-b]thiophen-4-ylsulfanylacetic acid

Drug info:

PubChemData

Smile

C[C@@H](CC(=S)N(C)C)C[N+](=O)[O-]

DOS

IR

Vibrations