Geometry & MOs

Info

ID:	423282
PubChem CID:	135119231
Reduced:	SO3N4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	339.050965
ΔH_f, kcal/mol:	-43.48
Dipole, Da:	4.17
IP(EA), eV:	-8.34(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-(4-chloro-2-methoxybenzoyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)SCCC(=O)NCCCN3C=CN=N3

DOS

IR

Vibrations