Geometry & MOs

Info

ID:	134607
PubChem CID:	51724948
Reduced:	FSN3O3C22H22 (1)
Stoich.:	ABC3D3E22F22 (1)
Weight, g/mol:	318.145381
ΔH_f, kcal/mol:	-108.67
Dipole, Da:	6.69
IP(EA), eV:	-9.44(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-5-phenyl-1,3,4-oxadiazol-2-one

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=C(C=C2)NC(=O)[C@@H]3CS[C@@H](C(=O)N3)CC4=CC=CC=C4F

DOS

IR

Vibrations