Geometry & MOs

Info

ID:	383632
PubChem CID:	134975451
Reduced:	OS2C10H12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	234.017307
ΔH_f, kcal/mol:	-49.23
Dipole, Da:	4.35
IP(EA), eV:	-8.16(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-phenyl-2-oxa-1lambda4,8-dithiabicyclo[3.3.0]octa-1(5),3,6-triene

Drug info:

PubChemData

Smile

CC1=C2CCCC3=C(SS(=C23)O1)C

DOS

IR

Vibrations