Geometry & MOs

Info

ID:	7508
PubChem CID:	73169
Reduced:	SO3N4H8C10 (1)
Stoich.:	AB3C4D8E10 (1)
Weight, g/mol:	264.031711
ΔH_f, kcal/mol:	1.76
Dipole, Da:	5.04
IP(EA), eV:	-9.4(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-6-[(1-methyltriazol-4-yl)methylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=C(N=N1)C=C2[C@@H]3N(C2=O)C(=CS3)C(=O)O

DOS

IR

Vibrations