Geometry & MOs

Info

ID:	422988
PubChem CID:	135118735
Reduced:	ClO5N6C30H35 (1)
Stoich.:	AB5C6D30E35 (1)
Weight, g/mol:	353.119798
ΔH_f, kcal/mol:	-129.83
Dipole, Da:	4.52
IP(EA), eV:	-9.34(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)C(=O)N2CCCNC(=O)[C@@H](NC(=O)C3=CC(=C(C=C3)OCCCN4C=C(C2)N=N4)Cl)CC5=CC=CC=C5

DOS

IR

Vibrations