Geometry & MOs

Info

ID:	414995
PubChem CID:	135087975
Reduced:	ClSN2O4C16H23 (1)
Stoich.:	ABC2D4E16F23 (1)
Weight, g/mol:	329.101171
ΔH_f, kcal/mol:	-166.44
Dipole, Da:	3.47
IP(EA), eV:	-9.6(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCC2=CC=CC=C2Cl

DOS

IR

Vibrations