Geometry & MOs

Info

ID:	303887
PubChem CID:	124490670
Reduced:	NO2S2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	225.136493
ΔH_f, kcal/mol:	-44.77
Dipole, Da:	4.37
IP(EA), eV:	-9.21(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S,2Z,4S,7R)-2-hydroxyimino-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]propanoic acid

Drug info:

PubChemData

Smile

CS[C@@H](CC(=O)O)C1=NC2=CC=CC=C2S1

DOS

IR

Vibrations