Geometry & MOs

Info

ID:	128759
PubChem CID:	51057207
Reduced:	SO2F3N4H15C17 (1)
Stoich.:	AB2C3D4E15F17 (1)
Weight, g/mol:	578.172287
ΔH_f, kcal/mol:	-113.59
Dipole, Da:	5.97
IP(EA), eV:	-9.26(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propyl]-2-(4-methoxyphenyl)-1,5-benzothiazepin-4-one;oxalic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC(CSC2=NN=NN2C3=CC=CC(=C3)C(F)(F)F)O

DOS

IR

Vibrations