Geometry & MOs

Info

ID:	415133
PubChem CID:	135088119
Reduced:	NSO4C22H25 (1)
Stoich.:	ABC4D22E25 (1)
Weight, g/mol:	355.153206
ΔH_f, kcal/mol:	-134.95
Dipole, Da:	2.03
IP(EA), eV:	-9.45(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)pyrazine-2-carboxylic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2C[C@H]3CCC[C@@]([C@H]3C2)(C4=CC=CC=C4)O

DOS

IR

Vibrations