Geometry & MOs

Info

ID:	388269
PubChem CID:	134988670
Reduced:	SO3C10H16 (1)
Stoich.:	AB3C10D16 (1)
Weight, g/mol:	180.097272
ΔH_f, kcal/mol:	-127.32
Dipole, Da:	5.4
IP(EA), eV:	-8.49(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethylspiro[3-thiabicyclo[4.2.0]oct-1(6)-ene-4,1'-cyclopropane]

Drug info:

PubChemData

Smile

CC1=C(C[S@](=O)[C@@](C1)(C)C(=O)OC)C

DOS

IR

Vibrations