Geometry & MOs

Info

ID:	388753
PubChem CID:	134990099
Reduced:	PSC9H11 (1)
Stoich.:	ABC9D11 (1)
Weight, g/mol:	203.948576
ΔH_f, kcal/mol:	26.01
Dipole, Da:	5.77
IP(EA), eV:	-8.59(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxa-4lambda4,5,9-trithia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene

Drug info:

PubChemData

Smile

C1C=CCP2(=S)C1C=CC=C2

DOS

IR

Vibrations