Geometry & MOs

Info

ID:	190792
PubChem CID:	78058315
Reduced:	NO3C19H39 (1)
Stoich.:	AB3C19D39 (1)
Weight, g/mol:	284.080633
ΔH_f, kcal/mol:	-191.02
Dipole, Da:	4.31
IP(EA), eV:	-8.95(1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOCC1CCC(C(C1OCCCC)OCCCC)N

DOS

IR

Vibrations