Geometry & MOs

Info

ID:	399916
PubChem CID:	135043790
Reduced:	NSO5C7H14 (1)
Stoich.:	ABC5D7E14 (1)
Weight, g/mol:	164.92772
ΔH_f, kcal/mol:	-223.15
Dipole, Da:	5.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768840
Charge, e:	1

Chem-info

IUPAC name:

4-thia-1-selenoniabicyclo[3.1.0]hex-2-ene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC[OH+]S1(=O)=O

DOS

IR

Vibrations