Geometry & MOs

Info

ID:	166281
PubChem CID:	74662457
Reduced:	SN2O5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	290.067389
ΔH_f, kcal/mol:	-142.2
Dipole, Da:	7.61
IP(EA), eV:	-8.73(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1,1-dioxothiolan-3-yl)-[1-oxo-1-(2,2,2-trifluoroethoxy)propan-2-yl]azanium

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C=CC(=O)NC2=NC=C(S2)C(=O)OC)OC

DOS

IR

Vibrations