Geometry & MOs

Info

ID:	14066
PubChem CID:	403346
Reduced:	NS2O4H15C18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	373.04425
ΔH_f, kcal/mol:	-78.66
Dipole, Da:	4.17
IP(EA), eV:	-9.5(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-phenylethyl]benzo[g][1,3,2]benzodithiazole 1,1,3,3-tetraoxide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N2S(=O)(=O)C3=C(S2(=O)=O)C4=CC=CC=C4C=C3

DOS

IR

Vibrations