Geometry & MOs

Info

ID:	53168
PubChem CID:	14709691
Reduced:	OSN4C12H12 (1)
Stoich.:	ABC4D12E12 (1)
Weight, g/mol:	265.99907
ΔH_f, kcal/mol:	50.87
Dipole, Da:	1.78
IP(EA), eV:	-9.03(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-2,3-dihydrobenzo[h][1,4]benzodithiine

Drug info:

PubChemData

Smile

CC1(CC2=C(CS1)OC3=C2C4=NC=NN4C=N3)C

DOS

IR

Vibrations