Geometry & MOs

Info

ID:	190238
PubChem CID:	77974685
Reduced:	NSO4C9H9 (1)
Stoich.:	ABC4D9E9 (1)
Weight, g/mol:	433.155909
ΔH_f, kcal/mol:	-119.8
Dipole, Da:	2.06
IP(EA), eV:	-9.02(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-7-oxo-6-(2-oxo-3-phenylpropylidene)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CC(=O)COC(=O)C1=CN2C(S1)CC2=O

DOS

IR

Vibrations