Geometry & MOs

Info

ID:	417390
PubChem CID:	135093112
Reduced:	O2N4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	387.114044
ΔH_f, kcal/mol:	-18.4
Dipole, Da:	4.2
IP(EA), eV:	-9.08(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxy-5-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)benzoate

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CN=C(C=C2)N[C@H]3COC[C@H]3CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations