Geometry & MOs

Info

ID:	383689
PubChem CID:	134975552
Reduced:	NO3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	217.005363
ΔH_f, kcal/mol:	-74.19
Dipole, Da:	2.61
IP(EA), eV:	-9.9(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,8-dimethyl-3-methylsulfanyl-1lambda4,2-dithia-8-azabicyclo[3.3.0]octa-1(5),3,6-triene

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/1\CN=C(O1)C2=CC=CC=C2

DOS

IR

Vibrations