Geometry & MOs

Info

ID:	401495
PubChem CID:	135051441
Reduced:	O2S3H18C21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	296.032957
ΔH_f, kcal/mol:	-4.92
Dipole, Da:	2.64
IP(EA), eV:	-8.15(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C3CCC4=C(SS(=C34)S2)C5=CC=C(C=C5)OC

DOS

IR

Vibrations