Geometry & MOs

Info

ID:	185591
PubChem CID:	77318248
Reduced:	COH2 (12)
Stoich.:	ABC2 (12)
Weight, g/mol:	301.098394
ΔH_f, kcal/mol:	-546.47
Dipole, Da:	5.93
IP(EA), eV:	-10.27(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-hydroxyethyl)-3-methyl-7-oxo-3-(oxolan-3-yl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

C(C1C(C(C(C(O1)OC(C(CO)O)C(C(=O)CO)O)O)O)O)O.O

DOS

IR

Vibrations