Geometry & MOs

Info

ID:	417065
PubChem CID:	135091243
Reduced:	SO4N5C30H37 (1)
Stoich.:	AB4C5D30E37 (1)
Weight, g/mol:	359.130363
ΔH_f, kcal/mol:	-140.45
Dipole, Da:	10.09
IP(EA), eV:	-8.3(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N1)C(=O)C2=C3CCCCC3=CS2)CC4=CNC5=CC=CC=C54

DOS

IR

Vibrations