Geometry & MOs

Info

ID:	383437
PubChem CID:	134975165
Reduced:	O11C33H42 (1)
Stoich.:	A11B33C42 (1)
Weight, g/mol:	274.111304
ΔH_f, kcal/mol:	-413.67
Dipole, Da:	6.23
IP(EA), eV:	-9.44(0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(7-acetyloxy-9-methyl-2-oxo-1,4-oxathionan-5-ylidene)-dimethylazanium

Drug info:

PubChemData

Smile

CC(=O)OC1[C@@H](CO[C@@H](C1OCC2=CC=CC=C2)OC3[C@H](O[C@H]4C3OC(O4)(C)C)C5COC(O5)(C)C)OCC6=CC=CC=C6

DOS

IR

Vibrations