Geometry & MOs

Info

ID:	222339
PubChem CID:	85297008
Reduced:	S2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	388.119189
ΔH_f, kcal/mol:	-176.81
Dipole, Da:	3.93
IP(EA), eV:	-8.36(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,5-diacetyloxy-6,6-bis(prop-2-enoxy)thian-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C1SCCS1)C(CC(CC(=O)OC)O)OCC2=CC=CC=C2

DOS

IR

Vibrations