Geometry & MOs

Info

ID:	189330
PubChem CID:	77841540
Reduced:	SN2O5C13H16 (1)
Stoich.:	AB2C5D13E16 (1)
Weight, g/mol:	328.072907
ΔH_f, kcal/mol:	-187.96
Dipole, Da:	6.88
IP(EA), eV:	-9.79(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(hydroxymethyl)-7-oxo-3-[(6-oxopiperidin-2-yl)methyl]-4-thia-1-azabicyclo[3.2.0]hept-2-en-2-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

C1CC(NC(=O)C1)CC2=C(N3C(S2)C(C3=O)CO)C(=O)O

DOS

IR

Vibrations