Geometry & MOs

Info

ID:	15654
PubChem CID:	446903
Reduced:	SN2O3C9H14 (1)
Stoich.:	AB2C3D9E14 (1)
Weight, g/mol:	230.072513
ΔH_f, kcal/mol:	-140.27
Dipole, Da:	6.13
IP(EA), eV:	-9.19(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]butanoic acid

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]([C@@H](S1)CCCC(=O)O)NC(=O)N2

DOS

IR

Vibrations