Geometry & MOs

Info

ID:	309463
PubChem CID:	126546418
Reduced:	SO5C8H14 (1)
Stoich.:	AB5C8D14 (1)
Weight, g/mol:	273.054753
ΔH_f, kcal/mol:	-188.55
Dipole, Da:	3.27
IP(EA), eV:	-8.98(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanediamine

Drug info:

PubChemData

Smile

C(CS)O[C@H]1[C@H](C2[C@H](O2)C(O1)CO)O

DOS

IR

Vibrations