Geometry & MOs

Info

ID:	420647
PubChem CID:	135114580
Reduced:	SCl2N2O3C16H22 (1)
Stoich.:	AB2C2D3E16F22 (1)
Weight, g/mol:	381.125946
ΔH_f, kcal/mol:	-125.81
Dipole, Da:	2.37
IP(EA), eV:	-8.92(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl-[2-(2H-tetrazol-5-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)S(=O)(=O)C3=CC(=CC(=C3)Cl)Cl)CO

DOS

IR

Vibrations