Geometry & MOs

Info

ID:	189642
PubChem CID:	77884836
Reduced:	O5C21H30 (1)
Stoich.:	A5B21C30 (1)
Weight, g/mol:	320.050064
ΔH_f, kcal/mol:	-218.32
Dipole, Da:	2.28
IP(EA), eV:	-9.75(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(acetyloxymethyl)-7-amino-7-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC=CC(C1)C(C=CC2C(CC(=O)C2CC=CCCCC(=O)O)O)O

DOS

IR

Vibrations