Geometry & MOs

Info

ID:	389710
PubChem CID:	134994570
Reduced:	NC13H17 (1)
Stoich.:	AB13C17 (1)
Weight, g/mol:	221.967291
ΔH_f, kcal/mol:	52.32
Dipole, Da:	1.98
IP(EA), eV:	-9.13(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,5R,6R)-4,4-dichloro-3lambda4-thiatricyclo[4.2.1.02,5]non-7-ene 3-oxide

Drug info:

PubChemData

Smile

CC1(C(N1C)(C)C2=CC=CC=C2)C=C

DOS

IR

Vibrations