Geometry & MOs

Info

ID:	380449
PubChem CID:	134970900
Reduced:	NSO4C13H15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	214.041213
ΔH_f, kcal/mol:	-38.26
Dipole, Da:	9.71
IP(EA), eV:	-10.45(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-7-(methylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1/C=C(\CCS(=O)(=O)C2=CC=CC=C2)/[N+](=O)[O-]

DOS

IR

Vibrations