Geometry & MOs

Info

ID:	380450
PubChem CID:	134970901
Reduced:	SN2O3C8H10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	167.058243
ΔH_f, kcal/mol:	-83.1
Dipole, Da:	5.43
IP(EA), eV:	-9.53(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6S)-6-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CNC1[C@@H]2N(C1=O)C(=CCS2)C(=O)O

DOS

IR

Vibrations