Geometry & MOs

Info

ID:	765
PubChem CID:	3329
Reduced:	NSO5C12H15 (1)
Stoich.:	ABC5D12E15 (1)
Weight, g/mol:	285.067094
ΔH_f, kcal/mol:	-180.91
Dipole, Da:	6.49
IP(EA), eV:	-9.4(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1C2N(C1=O)C(=C(S2)C3CCCO3)C(=O)O)O

DOS

IR

Vibrations