Geometry & MOs

Info

ID:	422418
PubChem CID:	135117803
Reduced:	NSO6C17H23 (1)
Stoich.:	ABC6D17E23 (1)
Weight, g/mol:	393.151098
ΔH_f, kcal/mol:	-219.56
Dipole, Da:	11.61
IP(EA), eV:	-9.62(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzylpyrazol-4-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)S(=O)(=O)N2CC[C@@H]([C@@](C2)(CC3CC3)C(=O)O)O

DOS

IR

Vibrations