Geometry & MOs

Info

ID:	146534
PubChem CID:	53702121
Reduced:	FNO3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	439.97414
ΔH_f, kcal/mol:	-143.97
Dipole, Da:	6.07
IP(EA), eV:	-9.51(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,7R)-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanyl)-7-[(2-thiophen-3-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](C1C(N(C1=O)CC2=CC=CC=C2)C3OCCO3)F

DOS

IR

Vibrations