Geometry & MOs

Info

ID:	416220
PubChem CID:	135089230
Reduced:	ClON4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	398.11227
ΔH_f, kcal/mol:	-45.06
Dipole, Da:	0.44
IP(EA), eV:	-8.59(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzothiazol-2-yl)-1-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)N)N2CCC[C@@]3(C2)CCC[C@H]3O)Cl

DOS

IR

Vibrations