Geometry & MOs

Info

ID:	189320
PubChem CID:	77840377
Reduced:	O7C20H40 (1)
Stoich.:	A7B20C40 (1)
Weight, g/mol:	299.068825
ΔH_f, kcal/mol:	-382.51
Dipole, Da:	4.98
IP(EA), eV:	-10.24(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-hydroxyethyl)-7-oxo-3-(tetrazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)OC(CO)C1C(C(CO1)O)O.CCO

DOS

IR

Vibrations