Geometry & MOs

Info

ID:	190518
PubChem CID:	78015316
Reduced:	SN2F3O3C10H15 (1)
Stoich.:	AB2C3D3E10F15 (1)
Weight, g/mol:	252.074405
ΔH_f, kcal/mol:	-276.98
Dipole, Da:	5.64
IP(EA), eV:	-9.35(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(difluoromethyl)-2-(methylamino)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole-4,5-diol

Drug info:

PubChemData

Smile

CN(C)C1=NC2CC(C(OC2S1)C(C(F)(F)F)O)O

DOS

IR

Vibrations