Geometry & MOs

Info

ID:	285208
PubChem CID:	104098667
Reduced:	ClSN2O4C13H13 (1)
Stoich.:	ABC2D4E13F13 (1)
Weight, g/mol:	244.124549
ΔH_f, kcal/mol:	-34.55
Dipole, Da:	5.26
IP(EA), eV:	-8.26(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[(2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propane-1,3-diol

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)NCC2=CC=C(S2)[N+](=O)[O-])Cl)OC

DOS

IR

Vibrations