Geometry & MOs

Info

ID:	9145
PubChem CID:	86492
Reduced:	SN2O3C8H12 (1)
Stoich.:	AB2C3D8E12 (1)
Weight, g/mol:	216.056863
ΔH_f, kcal/mol:	-134.93
Dipole, Da:	3.49
IP(EA), eV:	-9.31(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations