Geometry & MOs

Info

ID:	43380
PubChem CID:	10321205
Reduced:	NSO3C26H37 (1)
Stoich.:	ABC3D26E37 (1)
Weight, g/mol:	443.260649
ΔH_f, kcal/mol:	-27.06
Dipole, Da:	3.36
IP(EA), eV:	-7.71(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8aR)-1'-(6-phenylhexyl)-7-propylspiro[3,8a-dihydro-1H-[1,3]thiazolo[3,4-a]pyrazine-6,4'-piperidine]-5,8-dione

Drug info:

PubChemData

Smile

CCOC1=CN=C(S1)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C

DOS

IR

Vibrations