Geometry & MOs

Info

ID:	401538
PubChem CID:	135051557
Reduced:	NSO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	184.001657
ΔH_f, kcal/mol:	-36.82
Dipole, Da:	4.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757552
Charge, e:	0

Chem-info

IUPAC name:

3-oxa-4lambda4,5-dithiatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene

Drug info:

PubChemData

Smile

C[N+](=C1OC(=C(S1)O)C2=CC=CC=C2)C

DOS

IR

Vibrations