Geometry & MOs

Info

ID:	422721
PubChem CID:	135118299
Reduced:	NSO4C18H27 (1)
Stoich.:	ABC4D18E27 (1)
Weight, g/mol:	371.119129
ΔH_f, kcal/mol:	-165.71
Dipole, Da:	5.46
IP(EA), eV:	-9.17(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC[C@@]3(C2)CCC[C@H]3OC)OC

DOS

IR

Vibrations