Geometry & MOs

Info

ID:	189439
PubChem CID:	77855910
Reduced:	NSSiO4C15H24 (1)
Stoich.:	ABCD4E15F24 (1)
Weight, g/mol:	257.035794
ΔH_f, kcal/mol:	-231.6
Dipole, Da:	9.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754123
Charge, e:	0

Chem-info

IUPAC name:

6-(1,3-dioxolan-4-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(N2C(S1)C(C2=O)C(C)(C(C)(C)C)O[Si](C)C)C(=O)O

DOS

IR

Vibrations