Geometry & MOs

Info

ID:	186482
PubChem CID:	77439122
Reduced:	SO4C23H28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	352.134445
ΔH_f, kcal/mol:	-133.5
Dipole, Da:	1.74
IP(EA), eV:	-8.99(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-ethylsulfanyl-8-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) acetate

Drug info:

PubChemData

Smile

CCSC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)OCC4=CC=CC=C4)C

DOS

IR

Vibrations