Geometry & MOs

Info

ID:	11713
PubChem CID:	119617
Reduced:	SN2O5C14H20 (1)
Stoich.:	AB2C5D14E20 (1)
Weight, g/mol:	328.109293
ΔH_f, kcal/mol:	-197.79
Dipole, Da:	3.42
IP(EA), eV:	-9.4(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethylpropanoyloxymethyl 7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCOC(=O)C(C)(C)C

DOS

IR

Vibrations