Geometry & MOs

Info

ID:	202412
PubChem CID:	79669998
Reduced:	ClSN3O5H10C11 (1)
Stoich.:	ABC3D5E10F11 (1)
Weight, g/mol:	311.155515
ΔH_f, kcal/mol:	-65.11
Dipole, Da:	2.83
IP(EA), eV:	-10.13(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propane-1,2-diol

Drug info:

PubChemData

Smile

C1COC(CN1S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C#N

DOS

IR

Vibrations